[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 5-[(2-methylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 5-[(2-methylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 5-(2-methylanilino)-5-oxo-pentanoate CAS Name: 5-(2-methylanilino)-5-oxopentanoic acid [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 5-(2-methylanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(o-toluidino)valeric acid [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCCC(=O)OCC(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCCC(=O)OCC(=O)N[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4/c1-16-9-6-7-12-19(16)24-20(25)13-8-14-22(27)28-15-21(26)23-17(2)18-10-4-3-5-11-18/h3-7,9-12,17H,8,13-15H2,1-2H3,(H,23,26)(H,24,25)/t17-/m0/s1