methyl 3-[(3-chloranyl-4-methyl-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[(3-chloranyl-4-methyl-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(3-chloro-4-methyl-benzoyl)amino]benzoate CAS Name: 3-[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(3-chloro-4-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(3-chloro-4-methyl-benzoyl)amino]benzoic acid methyl ester Formula: C27H28ClN3O3 MolecularWeight: 477.98252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H28ClN3O3/c1-19-8-9-21(16-23(19)28)26(32)29-24-17-22(27(33)34-2)10-11-25(24)31-14-12-30(13-15-31)18-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18H2,1-2H3,(H,29,32)