2-[(phenylmethyl)-(1,2,3,4-tetrahydroacridin-9-yl)amino]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(phenylmethyl)-(1,2,3,4-tetrahydroacridin-9-yl)amino]cyclohexene-1-carboxylic acid Openeye Name: 2-[benzyl(1,2,3,4-tetrahydroacridin-9-yl)amino]cyclohexene-1-carboxylic acid CAS Name: 2-[(phenylmethyl)-(1,2,3,4-tetrahydroacridin-9-yl)amino]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[benzyl(1,2,3,4-tetrahydroacridin-9-yl)amino]cyclohexene-1-carboxylic acid Traditional Name: 2-[benzyl(1,2,3,4-tetrahydroacridin-9-yl)amino]cyclohexene-1-carboxylic acid Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC=CC=C3C(=C2C1)N(CC4=CC=CC=C4)C5=C(CCCC5)C(=O)O

Isomeric SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)N(CC4=CC=CC=C4)C5=C(CCCC5)C(=O)O

InChI

InChI=1S/C27H28N2O2/c30-27(31)22-14-6-9-17-25(22)29(18-19-10-2-1-3-11-19)26-20-12-4-7-15-23(20)28-24-16-8-5-13-21(24)26/h1-4,7,10-12,15H,5-6,8-9,13-14,16-18H2,(H,30,31)