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

Systemtic Name: methyl 3-[(3-phenylmethoxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 3-[(3-benzyloxybenzoyl)amino]-4-(4-benzylpiperazin-1-yl)benzoate CAS Name: 3-[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(3-phenylmethoxybenzoyl)amino]benzoate Traditional Name: 3-[(3-benzoxybenzoyl)amino]-4-(4-benzylpiperazino)benzoic acid methyl ester Formula: C33H33N3O4 MolecularWeight: 535.63282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C33H33N3O4/c1-39-33(38)28-15-16-31(36-19-17-35(18-20-36)23-25-9-4-2-5-10-25)30(22-28)34-32(37)27-13-8-14-29(21-27)40-24-26-11-6-3-7-12-26/h2-16,21-22H,17-20,23-24H2,1H3,(H,34,37)