(phenylmethyl) 4-[3-[(2,6-dimethylphenyl)amino]-3-oxidanylidene-propyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-[(2,6-dimethylphenyl)amino]-3-oxidanylidene-propyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[3-(2,6-dimethylanilino)-3-oxo-propyl]piperazine-1-carboxylate CAS Name: 4-[3-(2,6-dimethylanilino)-3-oxopropyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(2,6-dimethylanilino)-3-oxopropyl]piperazine-1-carboxylate Traditional Name: 4-[3-(2,6-dimethylanilino)-3-keto-propyl]piperazine-1-carboxylic acid benzyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCN2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCN2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-18-7-6-8-19(2)22(18)24-21(27)11-12-25-13-15-26(16-14-25)23(28)29-17-20-9-4-3-5-10-20/h3-10H,11-17H2,1-2H3,(H,24,27)