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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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