2-[3-(4-azanylbutyl)-2-[4-(diethylamino)phenyl]-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-[4-(diethylamino)phenyl]-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-[4-(diethylamino)phenyl]-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-[4-(diethylamino)phenyl]-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-[4-(diethylamino)phenyl]-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-[4-(diethylamino)phenyl]-1H-indol-5-yl]acetic acid Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN

InChI

InChI=1S/C24H31N3O2/c1-3-27(4-2)19-11-9-18(10-12-19)24-20(7-5-6-14-25)21-15-17(16-23(28)29)8-13-22(21)26-24/h8-13,15,26H,3-7,14,16,25H2,1-2H3,(H,28,29)