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

Systemtic Name: (phenylmethyl) 3-[5-methylidene-2-(2-methylpropyl)-3,6-bis(oxidanylidene)piperazin-1-yl]indole-1-carboxylate Openeye Name: benzyl 3-(2-isobutyl-5-methylene-3,6-dioxo-piperazin-1-yl)indole-1-carboxylate CAS Name: 3-[5-methylene-2-(2-methylpropyl)-3,6-dioxo-1-piperazinyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[5-methylidene-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]indole-1-carboxylate Traditional Name: 3-(2-isobutyl-3,6-diketo-5-methylene-piperazino)indole-1-carboxylic acid benzyl ester Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC(=C)C(=O)N1C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1C(=O)NC(=C)C(=O)N1C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4/c1-16(2)13-21-23(29)26-17(3)24(30)28(21)22-14-27(20-12-8-7-11-19(20)22)25(31)32-15-18-9-5-4-6-10-18/h4-12,14,16,21H,3,13,15H2,1-2H3,(H,26,29)