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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)indole-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)indole-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)indole-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)indole-2-carboxylic acid Formula: C24H18ClNO5 MolecularWeight: 435.85642

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClNO5/c1-29-16-8-6-14(7-9-16)22-17-4-2-3-5-19(17)26(23(22)24(27)28)12-15-10-20-21(11-18(15)25)31-13-30-20/h2-11H,12-13H2,1H3,(H,27,28)