methyl 3-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-(4-acetylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-(4-acetylphenyl)piperazino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H27N3O4/c1-16-4-5-19(23(29)30-3)14-21(16)24-22(28)15-25-10-12-26(13-11-25)20-8-6-18(7-9-20)17(2)27/h4-9,14H,10-13,15H2,1-3H3,(H,24,28)