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

Systemtic Name: 2-(2-diethylaminoethyl)-1-(4-methoxyphenyl)-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-(2-diethylaminoethyl)-1-(4-methoxyphenyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 2-(2-diethylaminoethyl)-1-(4-methoxyphenyl)-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-(2-diethylaminoethyl)-1-(4-methoxyphenyl)-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-(2-diethylaminoethyl)-1-(4-methoxyphenyl)-1H-isoquinoline-4-carboxylic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-4-24(5-2)14-15-25-16-21(23(26)27)19-8-6-7-9-20(19)22(25)17-10-12-18(28-3)13-11-17/h6-13,16,22H,4-5,14-15H2,1-3H3,(H,26,27)