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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(4-methylnaphthalen-1-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(4-methyl-1-naphthyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(4-methyl-1-naphthalenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(4-methylnaphthalen-1-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(4-methyl-1-naphthyl)-1H-indol-5-yl]acetic acid Formula: C25H26N2O2 MolecularWeight: 386.48614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=CC=CC=C12)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

InChI

InChI=1S/C25H26N2O2/c1-16-9-11-21(19-7-3-2-6-18(16)19)25-20(8-4-5-13-26)22-14-17(15-24(28)29)10-12-23(22)27-25/h2-3,6-7,9-12,14,27H,4-5,8,13,15,26H2,1H3,(H,28,29)