[4-[(4S,7R)-3-cyano-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-ethoxy-phenyl] ethanoate

Systemtic Name: [4-[(4S,7R)-3-cyano-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-ethoxy-phenyl] ethanoate Openeye Name: [4-[(4S,7R)-3-cyano-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-ethoxy-phenyl] acetate CAS Name: acetic acid [4-[(4S,7R)-3-cyano-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(4S,7R)-3-cyano-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-ethoxyphenyl] acetate Traditional Name: acetic acid [4-[(4S,7R)-3-cyano-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-ethoxy-phenyl] ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=NC3=C2C(=O)CC(C3)C4=CC=CC=C4)C)C#N)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2C(C(=NC3=C2C(=O)C[C@@H](C3)C4=CC=CC=C4)C)C#N)OC(=O)C

InChI

InChI=1S/C27H26N2O4/c1-4-32-25-14-19(10-11-24(25)33-17(3)30)26-21(15-28)16(2)29-22-12-20(13-23(31)27(22)26)18-8-6-5-7-9-18/h5-11,14,20-21,26H,4,12-13H2,1-3H3/t20-,21?,26-/m1/s1