3-[[3-(2-azanylethyl)-5-naphthalen-1-yl-indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[3-(2-azanylethyl)-5-naphthalen-1-yl-indol-1-yl]methyl]benzoic acid Openeye Name: 3-[[3-(2-aminoethyl)-5-(1-naphthyl)indol-1-yl]methyl]benzoic acid CAS Name: 3-[[3-(2-aminoethyl)-5-(1-naphthalenyl)-1-indolyl]methyl]benzoic acid IUPAC Name: 3-[[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]methyl]benzoic acid Traditional Name: 3-[[3-(2-aminoethyl)-5-(1-naphthyl)indol-1-yl]methyl]benzoic acid Formula: C28H24N2O2 MolecularWeight: 420.50236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=CC4=C(C=C3)N(C=C4CCN)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=CC4=C(C=C3)N(C=C4CCN)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C28H24N2O2/c29-14-13-23-18-30(17-19-5-3-8-22(15-19)28(31)32)27-12-11-21(16-26(23)27)25-10-4-7-20-6-1-2-9-24(20)25/h1-12,15-16,18H,13-14,17,29H2,(H,31,32)