2-[bis(phenylmethyl)amino]ethyl (E)-4-(4-methylphenyl)-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-[bis(phenylmethyl)amino]ethyl (E)-4-(4-methylphenyl)-4-oxidanylidene-but-2-enoate Openeye Name: 2-(dibenzylamino)ethyl (E)-4-oxo-4-(p-tolyl)but-2-enoate CAS Name: (E)-4-(4-methylphenyl)-4-oxo-2-butenoic acid 2-[bis(phenylmethyl)amino]ethyl ester IUPAC Name: 2-(dibenzylamino)ethyl (E)-4-(4-methylphenyl)-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-(p-tolyl)but-2-enoic acid 2-(dibenzylamino)ethyl ester Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC(=O)OCCN(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C(=O)OCCN(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C27H27NO3/c1-22-12-14-25(15-13-22)26(29)16-17-27(30)31-19-18-28(20-23-8-4-2-5-9-23)21-24-10-6-3-7-11-24/h2-17H,18-21H2,1H3/b17-16+