2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methoxyphenyl)-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methoxyphenyl)-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methoxyphenyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 2-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(4-methoxyphenyl)-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methoxyphenyl)-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methoxyphenyl)-1H-isoquinoline-4-carboxylic acid Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CN2C=C(C3=CC=CC=C3C2C4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCN1CCCC1CN2C=C(C3=CC=CC=C3C2C4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C24H28N2O3/c1-3-25-14-6-7-18(25)15-26-16-22(24(27)28)20-8-4-5-9-21(20)23(26)17-10-12-19(29-2)13-11-17/h4-5,8-13,16,18,23H,3,6-7,14-15H2,1-2H3,(H,27,28)