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Summary Geometry Related PDB entries

E0P

Summary

Name:	ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate
Formula:	C18 H18 N2 O4
Formal charge:	0
Formula weight:	326.347 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate
OpenEye OEToolkits	2.0.6	ethyl 2-azanyl-5-oxidanylidene-7-propan-2-yl-chromeno[2,3-b]pyridine-3-carboxylate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCOC(c3cc2C(=O)c1cc(C(C)C)ccc1Oc2nc3N)=O
InChI	InChI	1.03	InChI=1S/C18H18N2O4/c1-4-23-18(22)13-8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)20-16(13)19/h5-9H,4H2,1-3H3,(H2,19,20)
InChIKey	InChI	1.03	PFDJAEKKGJFCNL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOC(=O)c1cc2C(=O)c3cc(ccc3Oc2nc1N)C(C)C
SMILES	CACTVS	3.385	CCOC(=O)c1cc2C(=O)c3cc(ccc3Oc2nc1N)C(C)C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CCOC(=O)c1cc2c(nc1N)Oc3ccc(cc3C2=O)C(C)C
SMILES	OpenEye OEToolkits	2.0.6	CCOC(=O)c1cc2c(nc1N)Oc3ccc(cc3C2=O)C(C)C

222415

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