2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C22H19ClN2O6 MolecularWeight: 442.84906

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)Cl

Isomeric SMILES

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)Cl

InChI

InChI=1S/C22H19ClN2O6/c1-10-6-13-15(23)8-14(19(26)18(13)22(30)31-10)20(27)25-17(21(28)29)7-11-9-24-16-5-3-2-4-12(11)16/h2-5,8-10,17,24,26H,6-7H2,1H3,(H,25,27)(H,28,29)