2-(2-diethylaminoethyl)-1-(4-hydroxyphenyl)-6-methyl-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-(2-diethylaminoethyl)-1-(4-hydroxyphenyl)-6-methyl-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-(2-diethylaminoethyl)-1-(4-hydroxyphenyl)-6-methyl-1H-isoquinoline-4-carboxylic acid CAS Name: 2-(2-diethylaminoethyl)-1-(4-hydroxyphenyl)-6-methyl-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-(2-diethylaminoethyl)-1-(4-hydroxyphenyl)-6-methyl-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-(2-diethylaminoethyl)-1-(4-hydroxyphenyl)-6-methyl-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=C(C1C3=CC=C(C=C3)O)C=CC(=C2)C)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C=C(C2=C(C1C3=CC=C(C=C3)O)C=CC(=C2)C)C(=O)O

InChI

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