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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

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