3-(2-carboxy-4-methoxy-phenyl)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(2-carboxy-4-methoxy-phenyl)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid Openeye Name: 3-(2-carboxy-4-methoxy-phenyl)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid CAS Name: 3-(2-carboxy-4-methoxyphenyl)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(2-carboxy-4-methoxyphenyl)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid Traditional Name: 3-(2-carboxy-4-methoxy-phenyl)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid Formula: C25H18ClNO7 MolecularWeight: 479.86592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O)C(=O)O

InChI

InChI=1S/C25H18ClNO7/c1-32-14-6-7-15(17(9-14)24(28)29)22-16-4-2-3-5-19(16)27(23(22)25(30)31)11-13-8-20-21(10-18(13)26)34-12-33-20/h2-10H,11-12H2,1H3,(H,28,29)(H,30,31)