3-[[2-(4-chlorophenyl)ethylamino]methyl]-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 3-[[2-(4-chlorophenyl)ethylamino]methyl]-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-3-[[2-(4-chlorophenyl)ethylamino]methyl]indole-2-carboxylic acid CAS Name: 3-[[2-(4-chlorophenyl)ethylamino]methyl]-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[[2-(4-chlorophenyl)ethylamino]methyl]indole-2-carboxylic acid Traditional Name: 1-benzyl-3-[[2-(4-chlorophenyl)ethylamino]methyl]indole-2-carboxylic acid Formula: C25H23ClN2O2 MolecularWeight: 418.91532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CNCCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CNCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN2O2/c26-20-12-10-18(11-13-20)14-15-27-16-22-21-8-4-5-9-23(21)28(24(22)25(29)30)17-19-6-2-1-3-7-19/h1-13,27H,14-17H2,(H,29,30)