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

Systemtic Name: ethyl 2-azanyl-4-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-1-(m-tolyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-keto-1-(m-tolyl)-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)C5=CC=CC(=C5)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)C5=CC=CC(=C5)C)N

InChI

InChI=1S/C26H26N2O5/c1-3-31-26(30)24-22(16-10-11-20-21(13-16)33-14-32-20)23-18(8-5-9-19(23)29)28(25(24)27)17-7-4-6-15(2)12-17/h4,6-7,10-13,22H,3,5,8-9,14,27H2,1-2H3