1-methyl-3-[[(phenylmethyl)amino]methyl]indole-2-carboxylic acid

Systemtic Name: 1-methyl-3-[[(phenylmethyl)amino]methyl]indole-2-carboxylic acid Openeye Name: 3-[(benzylamino)methyl]-1-methyl-indole-2-carboxylic acid CAS Name: 1-methyl-3-[[(phenylmethyl)amino]methyl]-2-indolecarboxylic acid IUPAC Name: 3-[(benzylamino)methyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[(benzylamino)methyl]-1-methyl-indole-2-carboxylic acid Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CNCC3=CC=CC=C3

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CNCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O2/c1-20-16-10-6-5-9-14(16)15(17(20)18(21)22)12-19-11-13-7-3-2-4-8-13/h2-10,19H,11-12H2,1H3,(H,21,22)