[4-(3-cyano-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl)phenyl] ethanoate

Systemtic Name: [4-(3-cyano-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl)phenyl] ethanoate Openeye Name: [4-(3-cyano-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl)phenyl] acetate CAS Name: acetic acid [4-(3-cyano-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl)phenyl] ester IUPAC Name: [4-(3-cyano-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl)phenyl] acetate Traditional Name: acetic acid [4-(3-cyano-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl)phenyl] ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C)C#N

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C)C#N

InChI

InChI=1S/C25H22N2O3/c1-15-21(14-26)24(18-8-10-20(11-9-18)30-16(2)28)25-22(27-15)12-19(13-23(25)29)17-6-4-3-5-7-17/h3-12,19,24-25,27H,13H2,1-2H3