methyl (2S)-2-[[4-(diphenylmethyl)piperazin-1-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(diphenylmethyl)piperazin-1-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(4-benzhydrylpiperazine-1-carbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-benzhydrylpiperazine-1-carbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-benzhydrylpiperazine-1-carbonyl)amino]-3-methyl-butyric acid methyl ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-18(2)21(23(28)30-3)25-24(29)27-16-14-26(15-17-27)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,21-22H,14-17H2,1-3H3,(H,25,29)/t21-/m0/s1