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

Systemtic Name: methyl 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-(2-methoxyphenyl)piperazino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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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=CC=C3OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H27N3O4/c1-16-8-9-17(22(27)29-3)14-18(16)23-21(26)15-24-10-12-25(13-11-24)19-6-4-5-7-20(19)28-2/h4-9,14H,10-13,15H2,1-3H3,(H,23,26)