2-[5-chloranyl-3-(2-methoxyphenyl)-2-oxidanylidene-1H-indol-3-yl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[5-chloranyl-3-(2-methoxyphenyl)-2-oxidanylidene-1H-indol-3-yl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[5-chloro-3-(2-methoxyphenyl)-2-oxo-indolin-3-yl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[5-chloro-2-keto-3-(2-methoxyphenyl)indolin-3-yl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2(C3=C(C=CC(=C3)Cl)NC2=O)N4CC5=CC=CC=C5CC4C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2(C3=C(C=CC(=C3)Cl)NC2=O)N4CC5=CC=CC=C5CC4C(=O)O

InChI

InChI=1S/C25H21ClN2O4/c1-32-22-9-5-4-8-18(22)25(19-13-17(26)10-11-20(19)27-24(25)31)28-14-16-7-3-2-6-15(16)12-21(28)23(29)30/h2-11,13,21H,12,14H2,1H3,(H,27,31)(H,29,30)