[(2-chlorophenyl)-(4-methylphenyl)-phenyl-methyl] 3-(methylamino)-2-oxidanyl-pentanoate

Systemtic Name: [(2-chlorophenyl)-(4-methylphenyl)-phenyl-methyl] 3-(methylamino)-2-oxidanyl-pentanoate Openeye Name: [(2-chlorophenyl)-phenyl-(p-tolyl)methyl] 2-hydroxy-3-(methylamino)pentanoate CAS Name: 2-hydroxy-3-(methylamino)pentanoic acid [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] ester IUPAC Name: [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-hydroxy-3-(methylamino)pentanoate Traditional Name: 2-hydroxy-3-(methylamino)valeric acid [(2-chlorophenyl)-phenyl-(p-tolyl)methyl] ester Formula: C26H28ClNO3 MolecularWeight: 437.95842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)OC(C1=CC=CC=C1)(C2=CC=C(C=C2)C)C3=CC=CC=C3Cl)O)NC

Isomeric SMILES

CCC(C(C(=O)OC(C1=CC=CC=C1)(C2=CC=C(C=C2)C)C3=CC=CC=C3Cl)O)NC

InChI

InChI=1S/C26H28ClNO3/c1-4-23(28-3)24(29)25(30)31-26(19-10-6-5-7-11-19,20-16-14-18(2)15-17-20)21-12-8-9-13-22(21)27/h5-17,23-24,28-29H,4H2,1-3H3