[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-oxo-2-[4-(2-phenoxyethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-keto-2-[4-(2-phenoxyethyl)piperazino]ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-17-6-5-9-19(21(17)23)22(27)29-16-20(26)25-12-10-24(11-13-25)14-15-28-18-7-3-2-4-8-18/h2-9H,10-16,23H2,1H3