[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 3-(ethoxycarbonylamino)benzoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 3-(ethoxycarbonylamino)benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 3-(ethoxycarbonylamino)benzoate CAS Name: 3-(ethoxycarbonylamino)benzoic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(ethoxycarbonylamino)benzoate Traditional Name: 3-(carbethoxyamino)benzoic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O5/c1-3-31-24(30)25-21-11-7-10-20(16-21)23(29)32-18(2)22(28)27-14-12-26(13-15-27)17-19-8-5-4-6-9-19/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,25,30)