2-[6-chloranyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbonyl]-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbonyl]-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[6-chloro-2-(2-methyl-3,4-dihydro-1H-isoquinoline-7-carbonyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[6-chloro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-oxomethyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[6-chloro-2-(2-methyl-3,4-dihydro-1H-isoquinoline-7-carbonyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[6-chloro-2-(2-methyl-3,4-dihydro-1H-isoquinoline-7-carbonyl)-1H-indol-3-yl]acetic acid Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=C(C=C2)C(=O)C3=C(C4=C(N3)C=C(C=C4)Cl)CC(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C=C(C=C2)C(=O)C3=C(C4=C(N3)C=C(C=C4)Cl)CC(=O)O

InChI

InChI=1S/C21H19ClN2O3/c1-24-7-6-12-2-3-13(8-14(12)11-24)21(27)20-17(10-19(25)26)16-5-4-15(22)9-18(16)23-20/h2-5,8-9,23H,6-7,10-11H2,1H3,(H,25,26)