2-(2-diethylaminoethyl)-1-phenyl-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-(2-diethylaminoethyl)-1-phenyl-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-(2-diethylaminoethyl)-1-phenyl-1H-isoquinoline-4-carboxylic acid CAS Name: 2-(2-diethylaminoethyl)-1-phenyl-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-(2-diethylaminoethyl)-1-phenyl-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-(2-diethylaminoethyl)-1-phenyl-1H-isoquinoline-4-carboxylic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=C(C2=CC=CC=C2C1C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C=C(C2=CC=CC=C2C1C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N2O2/c1-3-23(4-2)14-15-24-16-20(22(25)26)18-12-8-9-13-19(18)21(24)17-10-6-5-7-11-17/h5-13,16,21H,3-4,14-15H2,1-2H3,(H,25,26)