[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 4-(cyclopropylcarbonylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 4-(cyclopropylcarbonylamino)benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 4-(cyclopropanecarbonylamino)benzoate CAS Name: 4-[[cyclopropyl(oxo)methyl]amino]benzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate Traditional Name: 4-(cyclopropanecarbonylamino)benzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4/c28-22(27-14-12-26(13-15-27)16-18-4-2-1-3-5-18)17-31-24(30)20-8-10-21(11-9-20)25-23(29)19-6-7-19/h1-5,8-11,19H,6-7,12-17H2,(H,25,29)