3-(4-azanylbutyl)-7-chloranyl-2-(3,4-diethoxyphenyl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(3,4-diethoxyphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(3,4-diethoxyphenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(3,4-diethoxyphenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(3,4-diethoxyphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(3,4-diethoxyphenyl)-1H-indole-4-carboxylic acid Formula: C23H27ClN2O4 MolecularWeight: 430.92448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN)OCC

InChI

InChI=1S/C23H27ClN2O4/c1-3-29-18-11-8-14(13-19(18)30-4-2)21-15(7-5-6-12-25)20-16(23(27)28)9-10-17(24)22(20)26-21/h8-11,13,26H,3-7,12,25H2,1-2H3,(H,27,28)