3-(4-azanylbutyl)-7-methyl-2-(3-phenoxyphenyl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-methyl-2-(3-phenoxyphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-methyl-2-(3-phenoxyphenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-methyl-2-(3-phenoxyphenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-methyl-2-(3-phenoxyphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-methyl-2-(3-phenoxyphenyl)-1H-indole-4-carboxylic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC(=CC=C3)OC4=CC=CC=C4)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC(=CC=C3)OC4=CC=CC=C4)CCCCN

InChI

InChI=1S/C26H26N2O3/c1-17-13-14-22(26(29)30)23-21(12-5-6-15-27)25(28-24(17)23)18-8-7-11-20(16-18)31-19-9-3-2-4-10-19/h2-4,7-11,13-14,16,28H,5-6,12,15,27H2,1H3,(H,29,30)