[4-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] 2-(2-tert-butyl-4-methyl-phenoxy)ethanoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] 2-(2-tert-butyl-4-methyl-phenoxy)ethanoate Openeye Name: [4-[3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-(2-tert-butyl-4-methyl-phenoxy)acetate CAS Name: 2-(2-tert-butyl-4-methylphenoxy)acetic acid [4-[2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-(2-tert-butyl-4-methylphenoxy)acetate Traditional Name: 2-(2-tert-butyl-4-methyl-phenoxy)acetic acid [4-[3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CC=C3)OC)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CC=C3)OC)C(C)(C)C

InChI

InChI=1S/C31H32N2O5/c1-21-11-13-26(25(15-21)31(2,3)4)37-20-29(34)38-27-14-12-23(17-28(27)36-5)16-24(18-32)30(35)33-19-22-9-7-6-8-10-22/h6-17H,19-20H2,1-5H3,(H,33,35)