(phenylmethyl) 2-[[4-methyl-1-[3-(2-methylpropyl)-5-oxidanylidene-piperazin-1-yl]pentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[4-methyl-1-[3-(2-methylpropyl)-5-oxidanylidene-piperazin-1-yl]pentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[1-[(3-isobutyl-5-oxo-piperazin-1-yl)methyl]-3-methyl-butyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[4-methyl-1-[3-(2-methylpropyl)-5-oxo-1-piperazinyl]pentan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[1-[(3-isobutyl-5-keto-piperazino)methyl]-3-methyl-butyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H42N4O4 MolecularWeight: 486.64678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CC(=O)N1)CC(CC(C)C)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1CN(CC(=O)N1)CC(CC(C)C)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H42N4O4/c1-19(2)13-22-15-30(17-25(32)28-22)16-23(14-20(3)4)29-26(33)24-11-8-12-31(24)27(34)35-18-21-9-6-5-7-10-21/h5-7,9-10,19-20,22-24H,8,11-18H2,1-4H3,(H,28,32)(H,29,33)