2-[2-[(8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-[(8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[2-[(8-chloro-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C26H23ClN2O7 MolecularWeight: 510.92302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)O)OC3=C(C=C4C5=C(CCC5)C(=O)OC4=C3)Cl

Isomeric SMILES

CC(C(=O)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)O)OC3=C(C=C4C5=C(CCC5)C(=O)OC4=C3)Cl

InChI

InChI=1S/C26H23ClN2O7/c1-12(35-23-10-22-18(9-19(23)27)15-3-2-4-16(15)26(34)36-22)24(31)29-21(25(32)33)7-13-11-28-20-6-5-14(30)8-17(13)20/h5-6,8-12,21,28,30H,2-4,7H2,1H3,(H,29,31)(H,32,33)