methyl 3-[(2-methoxy-3-methyl-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[(2-methoxy-3-methyl-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(2-methoxy-3-methyl-benzoyl)amino]benzoate CAS Name: 3-[[(2-methoxy-3-methylphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(2-methoxy-3-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(2-methoxy-3-methyl-benzoyl)amino]benzoic acid methyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4/c1-20-8-7-11-23(26(20)34-2)27(32)29-24-18-22(28(33)35-3)12-13-25(24)31-16-14-30(15-17-31)19-21-9-5-4-6-10-21/h4-13,18H,14-17,19H2,1-3H3,(H,29,32)