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

Systemtic Name: methyl 4-methyl-3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[4-(2-phenoxyethyl)-1-piperazinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[4-(2-phenoxyethyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4/c1-18-8-9-19(23(28)29-2)16-21(18)24-22(27)17-26-12-10-25(11-13-26)14-15-30-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3,(H,24,27)