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

Systemtic Name: ethyl 3-[2-(3-methylphenoxy)ethanoylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[2-(3-methylphenoxy)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[[2-(3-methylphenoxy)acetyl]amino]benzoic acid ethyl ester Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O5/c1-3-36-29(35)23-12-13-26(25(19-23)30-27(33)20-37-24-11-7-8-21(2)18-24)31-14-16-32(17-15-31)28(34)22-9-5-4-6-10-22/h4-13,18-19H,3,14-17,20H2,1-2H3,(H,30,33)