(phenylmethyl) 5-methyl-2-[(1R)-2-(1-methylindol-3-yl)-1-(phenylmethoxycarbonylamino)ethyl]-1H-imidazole-4-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-2-[(1R)-2-(1-methylindol-3-yl)-1-(phenylmethoxycarbonylamino)ethyl]-1H-imidazole-4-carboxylate Openeye Name: benzyl 2-[(1R)-1-(benzyloxycarbonylamino)-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylate CAS Name: 5-methyl-2-[(1R)-2-(1-methyl-3-indolyl)-1-(phenylmethoxycarbonylamino)ethyl]-1H-imidazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-2-[(1R)-2-(1-methylindol-3-yl)-1-(phenylmethoxycarbonylamino)ethyl]-1H-imidazole-4-carboxylate Traditional Name: 2-[(1R)-1-(benzyloxycarbonylamino)-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylic acid benzyl ester Formula: C31H30N4O4 MolecularWeight: 522.5943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C(CC2=CN(C3=CC=CC=C32)C)NC(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(N1)[C@@H](CC2=CN(C3=CC=CC=C32)C)NC(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H30N4O4/c1-21-28(30(36)38-19-22-11-5-3-6-12-22)34-29(32-21)26(33-31(37)39-20-23-13-7-4-8-14-23)17-24-18-35(2)27-16-10-9-15-25(24)27/h3-16,18,26H,17,19-20H2,1-2H3,(H,32,34)(H,33,37)/t26-/m1/s1