[2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]ethyl] ester Formula: C24H20N2O4 MolecularWeight: 400.4266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H20N2O4/c1-29-21-12-10-19(11-13-21)23(18-7-3-2-4-8-18)26-22(27)16-30-24(28)20-9-5-6-17(14-20)15-25/h2-14,23H,16H2,1H3,(H,26,27)/t23-/m0/s1