methyl (2S)-2-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H26N4O3/c1-30-22(28)20(15-16-7-3-2-4-8-16)26-23(29)27-13-11-17(12-14-27)21-24-18-9-5-6-10-19(18)25-21/h2-10,17,20H,11-15H2,1H3,(H,24,25)(H,26,29)/t20-/m0/s1