ethyl 2-azanyl-4-(4-butoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(4-butoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl 2-amino-4-(4-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(4-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(4-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-(4-butoxyphenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C3=C(CCCC3=O)OC(=C2C(=O)OCC)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C3=C(CCCC3=O)OC(=C2C(=O)OCC)N

InChI

InChI=1S/C22H27NO5/c1-3-5-13-27-15-11-9-14(10-12-15)18-19-16(24)7-6-8-17(19)28-21(23)20(18)22(25)26-4-2/h9-12,18H,3-8,13,23H2,1-2H3