ethyl 3-[2-(4-methoxyphenyl)ethanoylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[2-(4-methoxyphenyl)ethanoylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(4-methoxyphenyl)acetyl]amino]benzoate CAS Name: 3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(4-methoxyphenyl)acetyl]amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid ethyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)OC

InChI

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