3-phenylpropyl 5-[[3-[(3-methylphenyl)carbamoyl]phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-[(3-methylphenyl)carbamoyl]phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[3-(m-tolylcarbamoyl)anilino]-5-oxo-pentanoate CAS Name: 5-[3-[(3-methylanilino)-oxomethyl]anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[3-[(3-methylphenyl)carbamoyl]anilino]-5-oxopentanoate Traditional Name: 5-keto-5-[3-(m-tolylcarbamoyl)anilino]valeric acid 3-phenylpropyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H30N2O4/c1-21-9-5-14-24(19-21)30-28(33)23-13-6-15-25(20-23)29-26(31)16-7-17-27(32)34-18-8-12-22-10-3-2-4-11-22/h2-6,9-11,13-15,19-20H,7-8,12,16-18H2,1H3,(H,29,31)(H,30,33)