methyl 4-[3-(4-phenylpiperazin-1-yl)propylcarbamoyl]benzoate

Systemtic Name: methyl 4-[3-(4-phenylpiperazin-1-yl)propylcarbamoyl]benzoate Openeye Name: methyl 4-[3-(4-phenylpiperazin-1-yl)propylcarbamoyl]benzoate CAS Name: 4-[oxo-[3-(4-phenyl-1-piperazinyl)propylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-phenylpiperazin-1-yl)propylcarbamoyl]benzoate Traditional Name: 4-[3-(4-phenylpiperazino)propylcarbamoyl]benzoic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-28-22(27)19-10-8-18(9-11-19)21(26)23-12-5-13-24-14-16-25(17-15-24)20-6-3-2-4-7-20/h2-4,6-11H,5,12-17H2,1H3,(H,23,26)