6-methoxy-1-(phenylmethyl)-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid

Systemtic Name: 6-methoxy-1-(phenylmethyl)-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid Openeye Name: 1-benzyl-6-methoxy-3-[[2-(2-thienyl)ethylamino]methyl]indole-2-carboxylic acid CAS Name: 6-methoxy-1-(phenylmethyl)-3-[(2-thiophen-2-ylethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-benzyl-6-methoxy-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid Traditional Name: 1-benzyl-6-methoxy-3-[[2-(2-thienyl)ethylamino]methyl]indole-2-carboxylic acid Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3)C(=O)O)CNCCC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3)C(=O)O)CNCCC4=CC=CS4

InChI

InChI=1S/C24H24N2O3S/c1-29-18-9-10-20-21(15-25-12-11-19-8-5-13-30-19)23(24(27)28)26(22(20)14-18)16-17-6-3-2-4-7-17/h2-10,13-14,25H,11-12,15-16H2,1H3,(H,27,28)