2-[4-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbonyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbonyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[4-(1,2,3,4-tetrahydroisoquinoline-7-carbonyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[4-[oxo(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[4-(1,2,3,4-tetrahydroisoquinoline-7-carbonyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[4-(1,2,3,4-tetrahydroisoquinoline-7-carbonyl)-1H-indol-3-yl]acetic acid Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=CC(=C2)C(=O)C3=C4C(=CC=C3)NC=C4CC(=O)O

Isomeric SMILES

C1CNCC2=C1C=CC(=C2)C(=O)C3=C4C(=CC=C3)NC=C4CC(=O)O

InChI

InChI=1S/C20H18N2O3/c23-18(24)9-15-11-22-17-3-1-2-16(19(15)17)20(25)13-5-4-12-6-7-21-10-14(12)8-13/h1-5,8,11,21-22H,6-7,9-10H2,(H,23,24)