ethyl 2-azanyl-4-(1,3-benzodioxol-5-yl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(1,3-benzodioxol-5-yl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-keto-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C25H23NO6 MolecularWeight: 433.45322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)C5=CC=CC=C5)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)C5=CC=CC=C5)N

InChI

InChI=1S/C25H23NO6/c1-2-29-25(28)23-21(15-8-9-18-19(11-15)31-13-30-18)22-17(27)10-16(12-20(22)32-24(23)26)14-6-4-3-5-7-14/h3-9,11,16,21H,2,10,12-13,26H2,1H3