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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

InChI

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