[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-acetamidobenzoate

Systemtic Name: [2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C23H27N3O4/c1-17-4-3-5-19(14-17)15-25-10-12-26(13-11-25)22(28)16-30-23(29)20-6-8-21(9-7-20)24-18(2)27/h3-9,14H,10-13,15-16H2,1-2H3,(H,24,27)