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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-5-methoxy-4-(3-morpholin-4-ylpropoxy)indole-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-5-methoxy-4-(3-morpholinopropoxy)indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-5-methoxy-4-[3-(4-morpholinyl)propoxy]-2-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-5-methoxy-4-(3-morpholin-4-ylpropoxy)indole-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-5-methoxy-4-(3-morpholinopropoxy)indole-2-carboxylic acid Formula: C24H26Cl2N2O5 MolecularWeight: 493.37964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl)OCCCN4CCOCC4

Isomeric SMILES

COC1=C(C2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl)OCCCN4CCOCC4

InChI

InChI=1S/C24H26Cl2N2O5/c1-31-22-6-5-20-17(23(22)33-10-2-7-27-8-11-32-12-9-27)14-21(24(29)30)28(20)15-16-3-4-18(25)19(26)13-16/h3-6,13-14H,2,7-12,15H2,1H3,(H,29,30)