[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: 2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: 2-cyano-3-(4-methoxyphenyl)acrylic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C28H26N2O4/c1-33-26-14-12-23(13-15-26)18-25(19-29)28(32)34-21-27(31)30(20-24-10-6-3-7-11-24)17-16-22-8-4-2-5-9-22/h2-15,18H,16-17,20-21H2,1H3