3-[[2-(1H-indol-3-yl)ethylamino]methyl]-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 3-[[2-(1H-indol-3-yl)ethylamino]methyl]-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-3-[[2-(1H-indol-3-yl)ethylamino]methyl]indole-2-carboxylic acid CAS Name: 3-[[2-(1H-indol-3-yl)ethylamino]methyl]-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[[2-(1H-indol-3-yl)ethylamino]methyl]indole-2-carboxylic acid Traditional Name: 1-benzyl-3-[[2-(1H-indol-3-yl)ethylamino]methyl]indole-2-carboxylic acid Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CNCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CNCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H25N3O2/c31-27(32)26-23(17-28-15-14-20-16-29-24-12-6-4-10-21(20)24)22-11-5-7-13-25(22)30(26)18-19-8-2-1-3-9-19/h1-13,16,28-29H,14-15,17-18H2,(H,31,32)