methyl (2S,3R)-2-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3R)-2-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3R)-2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-3-methyl-valeric acid methyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)OC)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H28N4O3/c1-4-13(2)17(19(25)27-3)23-20(26)24-11-9-14(10-12-24)18-21-15-7-5-6-8-16(15)22-18/h5-8,13-14,17H,4,9-12H2,1-3H3,(H,21,22)(H,23,26)/t13-,17+/m1/s1