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

Systemtic Name: 3-[[3-(2-azanylethyl)-5-(naphthalen-2-yloxymethyl)indol-1-yl]methyl]benzoic acid Openeye Name: 3-[[3-(2-aminoethyl)-5-(2-naphthyloxymethyl)indol-1-yl]methyl]benzoic acid CAS Name: 3-[[3-(2-aminoethyl)-5-(2-naphthalenyloxymethyl)-1-indolyl]methyl]benzoic acid IUPAC Name: 3-[[3-(2-aminoethyl)-5-(naphthalen-2-yloxymethyl)indol-1-yl]methyl]benzoic acid Traditional Name: 3-[[3-(2-aminoethyl)-5-(2-naphthoxymethyl)indol-1-yl]methyl]benzoic acid Formula: C29H26N2O3 MolecularWeight: 450.52834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCC3=CC4=C(C=C3)N(C=C4CCN)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCC3=CC4=C(C=C3)N(C=C4CCN)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C29H26N2O3/c30-13-12-25-18-31(17-20-4-3-7-24(14-20)29(32)33)28-11-8-21(15-27(25)28)19-34-26-10-9-22-5-1-2-6-23(22)16-26/h1-11,14-16,18H,12-13,17,19,30H2,(H,32,33)