methyl 3-[(3,5-diethoxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[(3,5-diethoxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(3,5-diethoxybenzoyl)amino]benzoate CAS Name: 3-[[(3,5-diethoxyphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(3,5-diethoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(3,5-diethoxybenzoyl)amino]benzoic acid methyl ester Formula: C30H35N3O5 MolecularWeight: 517.616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O5/c1-4-37-25-17-24(18-26(20-25)38-5-2)29(34)31-27-19-23(30(35)36-3)11-12-28(27)33-15-13-32(14-16-33)21-22-9-7-6-8-10-22/h6-12,17-20H,4-5,13-16,21H2,1-3H3,(H,31,34)