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

Systemtic Name: methyl 4-[4-(phenylmethyl)piperazin-1-yl]-3-[(4-propoxyphenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(4-propoxybenzoyl)amino]benzoate CAS Name: 3-[[oxo-(4-propoxyphenyl)methyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(4-propoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(4-propoxybenzoyl)amino]benzoic acid methyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O4/c1-3-19-36-25-12-9-23(10-13-25)28(33)30-26-20-24(29(34)35-2)11-14-27(26)32-17-15-31(16-18-32)21-22-7-5-4-6-8-22/h4-14,20H,3,15-19,21H2,1-2H3,(H,30,33)