(phenylmethyl) 3-[4-methyl-5-(2-methylpropyl)-3,6-bis(oxidanylidene)piperazin-2-yl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[4-methyl-5-(2-methylpropyl)-3,6-bis(oxidanylidene)piperazin-2-yl]indole-1-carboxylate Openeye Name: benzyl 3-(5-isobutyl-4-methyl-3,6-dioxo-piperazin-2-yl)indole-1-carboxylate CAS Name: 3-[4-methyl-5-(2-methylpropyl)-3,6-dioxo-2-piperazinyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-methyl-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]indole-1-carboxylate Traditional Name: 3-(5-isobutyl-3,6-diketo-4-methyl-piperazin-2-yl)indole-1-carboxylic acid benzyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC(C(=O)N1C)C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1C(=O)NC(C(=O)N1C)C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4/c1-16(2)13-21-23(29)26-22(24(30)27(21)3)19-14-28(20-12-8-7-11-18(19)20)25(31)32-15-17-9-5-4-6-10-17/h4-12,14,16,21-22H,13,15H2,1-3H3,(H,26,29)