3-[[ethyl-[1-(phenylmethyl)piperidin-4-yl]amino]methyl]-6-methoxy-1H-indole-2-carboxylic acid

Systemtic Name: 3-[[ethyl-[1-(phenylmethyl)piperidin-4-yl]amino]methyl]-6-methoxy-1H-indole-2-carboxylic acid Openeye Name: 3-[[(1-benzyl-4-piperidyl)-ethyl-amino]methyl]-6-methoxy-1H-indole-2-carboxylic acid CAS Name: 3-[[ethyl-[1-(phenylmethyl)-4-piperidinyl]amino]methyl]-6-methoxy-1H-indole-2-carboxylic acid IUPAC Name: 3-[[(1-benzylpiperidin-4-yl)-ethylamino]methyl]-6-methoxy-1H-indole-2-carboxylic acid Traditional Name: 3-[[(1-benzyl-4-piperidyl)-ethyl-amino]methyl]-6-methoxy-1H-indole-2-carboxylic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(NC2=C1C=CC(=C2)OC)C(=O)O)C3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC1=C(NC2=C1C=CC(=C2)OC)C(=O)O)C3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c1-3-28(19-11-13-27(14-12-19)16-18-7-5-4-6-8-18)17-22-21-10-9-20(31-2)15-23(21)26-24(22)25(29)30/h4-10,15,19,26H,3,11-14,16-17H2,1-2H3,(H,29,30)