[4-[(4-methylphenyl)carbamoyl]phenyl] (E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoate

Systemtic Name: [4-[(4-methylphenyl)carbamoyl]phenyl] (E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: [4-(p-tolylcarbamoyl)phenyl] (E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-2-propenoic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-methylphenyl)carbamoyl]phenyl] (E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acrylic acid [4-(p-tolylcarbamoyl)phenyl] ester Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C)OC

InChI

InChI=1S/C31H32N2O5/c1-4-5-6-7-18-37-28-17-10-23(20-29(28)36-3)19-25(21-32)31(35)38-27-15-11-24(12-16-27)30(34)33-26-13-8-22(2)9-14-26/h8-17,19-20H,4-7,18H2,1-3H3,(H,33,34)/b25-19+