3-(2-carboxycyclopropyl)-1-[(3,4-dichlorophenyl)methyl]-5-methoxy-indole-2-carboxylic acid

Systemtic Name: 3-(2-carboxycyclopropyl)-1-[(3,4-dichlorophenyl)methyl]-5-methoxy-indole-2-carboxylic acid Openeye Name: 3-(2-carboxycyclopropyl)-1-[(3,4-dichlorophenyl)methyl]-5-methoxy-indole-2-carboxylic acid CAS Name: 3-(2-carboxycyclopropyl)-1-[(3,4-dichlorophenyl)methyl]-5-methoxy-2-indolecarboxylic acid IUPAC Name: 3-(2-carboxycyclopropyl)-1-[(3,4-dichlorophenyl)methyl]-5-methoxyindole-2-carboxylic acid Traditional Name: 3-(2-carboxycyclopropyl)-1-(3,4-dichlorobenzyl)-5-methoxy-indole-2-carboxylic acid Formula: C21H17Cl2NO5 MolecularWeight: 434.26938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2C3CC3C(=O)O)C(=O)O)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2C3CC3C(=O)O)C(=O)O)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H17Cl2NO5/c1-29-11-3-5-17-14(7-11)18(12-8-13(12)20(25)26)19(21(27)28)24(17)9-10-2-4-15(22)16(23)6-10/h2-7,12-13H,8-9H2,1H3,(H,25,26)(H,27,28)