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

Systemtic Name: methyl (2S)-2-[[4-(diphenylmethyl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(4-benzhydrylpiperazine-1-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-benzhydrylpiperazine-1-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-benzhydrylpiperazine-1-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O3/c1-34-27(32)25(21-22-11-5-2-6-12-22)29-28(33)31-19-17-30(18-20-31)26(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25-26H,17-21H2,1H3,(H,29,33)/t25-/m0/s1