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

Systemtic Name: ethyl 3-[2-(3-methylphenoxy)ethanoylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzoate CAS Name: 3-[[2-(3-methylphenoxy)-1-oxoethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[[2-(3-methylphenoxy)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)COC4=CC=CC(=C4)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)COC4=CC=CC(=C4)C

InChI

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