[3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] 2-azanylbenzoate

Systemtic Name: [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] 2-azanylbenzoate Openeye Name: [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] 2-aminobenzoate CAS Name: 2-aminobenzoic acid [3-(3-ethyl-1-methyl-3-azepanyl)phenyl] ester IUPAC Name: [3-(3-ethyl-1-methylazepan-3-yl)phenyl] 2-aminobenzoate Traditional Name: 2-aminobenzoic acid [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] ester Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-3-22(13-6-7-14-24(2)16-22)17-9-8-10-18(15-17)26-21(25)19-11-4-5-12-20(19)23/h4-5,8-12,15H,3,6-7,13-14,16,23H2,1-2H3