(phenylmethyl) 4-[3-[(4-ethoxy-4-oxidanylidene-butanoyl)amino]-2-methyl-phenyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-[(4-ethoxy-4-oxidanylidene-butanoyl)amino]-2-methyl-phenyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[3-[(4-ethoxy-4-oxo-butanoyl)amino]-2-methyl-phenyl]piperazine-1-carboxylate CAS Name: 4-[3-[(4-ethoxy-1,4-dioxobutyl)amino]-2-methylphenyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-[(4-ethoxy-4-oxobutanoyl)amino]-2-methylphenyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(4-ethoxy-4-keto-butanoyl)amino]-2-methyl-phenyl]piperazine-1-carboxylic acid benzyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC=CC(=C1C)N2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC=CC(=C1C)N2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O5/c1-3-32-24(30)13-12-23(29)26-21-10-7-11-22(19(21)2)27-14-16-28(17-15-27)25(31)33-18-20-8-5-4-6-9-20/h4-11H,3,12-18H2,1-2H3,(H,26,29)