methyl 3-[[4-(1-phenylethyl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-(1-phenylethyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(1-phenylethyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[4-(1-phenylethyl)-1-piperazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(1-phenylethyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(1-phenylethyl)piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H25N3O3/c1-16(17-7-4-3-5-8-17)23-11-13-24(14-12-23)21(26)22-19-10-6-9-18(15-19)20(25)27-2/h3-10,15-16H,11-14H2,1-2H3,(H,22,26)