phenethyl 4-[[4-[(3-methylphenyl)carbonylamino]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-[(3-methylphenyl)carbonylamino]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[4-[(3-methylbenzoyl)amino]anilino]-4-oxo-butanoate CAS Name: 4-[4-[[(3-methylphenyl)-oxomethyl]amino]anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[4-[(3-methylbenzoyl)amino]anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(m-toluoylamino)anilino]butyric acid phenethyl ester Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4/c1-19-6-5-9-21(18-19)26(31)28-23-12-10-22(11-13-23)27-24(29)14-15-25(30)32-17-16-20-7-3-2-4-8-20/h2-13,18H,14-17H2,1H3,(H,27,29)(H,28,31)