3-[[3-(2-azanylethyl)-5-[(4-cyanophenyl)methoxy]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[3-(2-azanylethyl)-5-[(4-cyanophenyl)methoxy]indol-1-yl]methyl]benzoic acid Openeye Name: 3-[[3-(2-aminoethyl)-5-[(4-cyanophenyl)methoxy]indol-1-yl]methyl]benzoic acid CAS Name: 3-[[3-(2-aminoethyl)-5-[(4-cyanophenyl)methoxy]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-[[3-(2-aminoethyl)-5-[(4-cyanophenyl)methoxy]indol-1-yl]methyl]benzoic acid Traditional Name: 3-[[3-(2-aminoethyl)-5-(4-cyanobenzyl)oxy-indol-1-yl]methyl]benzoic acid Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C3=C2C=CC(=C3)OCC4=CC=C(C=C4)C#N)CCN)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C3=C2C=CC(=C3)OCC4=CC=C(C=C4)C#N)CCN)C(=O)O

InChI

InChI=1S/C26H23N3O3/c27-11-10-22-16-29(15-20-2-1-3-21(12-20)26(30)31)25-9-8-23(13-24(22)25)32-17-19-6-4-18(14-28)5-7-19/h1-9,12-13,16H,10-11,15,17,27H2,(H,30,31)