methyl 3-[(2,6-dimethoxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[(2,6-dimethoxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(2,6-dimethoxybenzoyl)amino]benzoate CAS Name: 3-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(2,6-dimethoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(2,6-dimethoxybenzoyl)amino]benzoic acid methyl ester Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O5/c1-34-24-10-7-11-25(35-2)26(24)27(32)29-22-18-21(28(33)36-3)12-13-23(22)31-16-14-30(15-17-31)19-20-8-5-4-6-9-20/h4-13,18H,14-17,19H2,1-3H3,(H,29,32)