1-(4-aminophenyl)-2-[(1-methylpiperidin-2-yl)methyl]-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 1-(4-aminophenyl)-2-[(1-methylpiperidin-2-yl)methyl]-1H-isoquinoline-4-carboxylic acid Openeye Name: 1-(4-aminophenyl)-2-[(1-methyl-2-piperidyl)methyl]-1H-isoquinoline-4-carboxylic acid CAS Name: 1-(4-aminophenyl)-2-[(1-methyl-2-piperidinyl)methyl]-1H-isoquinoline-4-carboxylic acid IUPAC Name: 1-(4-aminophenyl)-2-[(1-methylpiperidin-2-yl)methyl]-1H-isoquinoline-4-carboxylic acid Traditional Name: 1-(4-aminophenyl)-2-[(1-methyl-2-piperidyl)methyl]-1H-isoquinoline-4-carboxylic acid Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1CN2C=C(C3=CC=CC=C3C2C4=CC=C(C=C4)N)C(=O)O

Isomeric SMILES

CN1CCCCC1CN2C=C(C3=CC=CC=C3C2C4=CC=C(C=C4)N)C(=O)O

InChI

InChI=1S/C23H27N3O2/c1-25-13-5-4-6-18(25)14-26-15-21(23(27)28)19-7-2-3-8-20(19)22(26)16-9-11-17(24)12-10-16/h2-3,7-12,15,18,22H,4-6,13-14,24H2,1H3,(H,27,28)