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

Systemtic Name: 3-phenylpropyl 4-[[4-[(3-methylphenyl)carbonylamino]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[4-[(3-methylbenzoyl)amino]anilino]-4-oxo-butanoate CAS Name: 4-[4-[[(3-methylphenyl)-oxomethyl]amino]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[4-[(3-methylbenzoyl)amino]anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(m-toluoylamino)anilino]butyric acid 3-phenylpropyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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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)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O4/c1-20-7-5-11-22(19-20)27(32)29-24-14-12-23(13-15-24)28-25(30)16-17-26(31)33-18-6-10-21-8-3-2-4-9-21/h2-5,7-9,11-15,19H,6,10,16-18H2,1H3,(H,28,30)(H,29,32)