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

Systemtic Name: methyl 3-[(3-chloranyl-4-ethoxy-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(3-chloro-4-ethoxy-benzoyl)amino]benzoate CAS Name: 3-[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(3-chloro-4-ethoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(3-chloro-4-ethoxy-benzoyl)amino]benzoic acid methyl ester Formula: C28H30ClN3O4 MolecularWeight: 508.0085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=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/C28H30ClN3O4/c1-3-36-26-12-10-21(17-23(26)29)27(33)30-24-18-22(28(34)35-2)9-11-25(24)32-15-13-31(14-16-32)19-20-7-5-4-6-8-20/h4-12,17-18H,3,13-16,19H2,1-2H3,(H,30,33)