[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-[[(1S)-1-(1-naphthyl)ethyl]amino]-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-[[(1S)-1-(1-naphthalenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-keto-2-[[(1S)-1-(1-naphthyl)ethyl]amino]ethyl] ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC(C)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)N[C@@H](C)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H22N2O3/c1-17-10-12-19(13-11-17)14-21(15-26)25(29)30-16-24(28)27-18(2)22-9-5-7-20-6-3-4-8-23(20)22/h3-14,18H,16H2,1-2H3,(H,27,28)/b21-14+/t18-/m0/s1