[3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] 2-azanyl-6-methyl-benzoate hydrochloride

Systemtic Name: [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] 2-azanyl-6-methyl-benzoate hydrochloride Openeye Name: [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] 2-amino-6-methyl-benzoate hydrochloride CAS Name: 2-amino-6-methylbenzoic acid [3-(3-ethyl-1-methyl-3-azepanyl)phenyl] ester hydrochloride IUPAC Name: [3-(3-ethyl-1-methylazepan-3-yl)phenyl] 2-amino-6-methylbenzoate hydrochloride Traditional Name: 2-amino-6-methyl-benzoic acid [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] ester hydrochloride Formula: C23H31ClN2O2 MolecularWeight: 402.95744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)C3=C(C=CC=C3N)C.Cl

Isomeric SMILES

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)C3=C(C=CC=C3N)C.Cl

InChI

InChI=1S/C23H30N2O2.ClH/c1-4-23(13-5-6-14-25(3)16-23)18-10-8-11-19(15-18)27-22(26)21-17(2)9-7-12-20(21)24;/h7-12,15H,4-6,13-14,16,24H2,1-3H3;1H