6-methoxy-1-[(4-methylphenyl)methyl]-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid

Systemtic Name: 6-methoxy-1-[(4-methylphenyl)methyl]-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid Openeye Name: 6-methoxy-1-(p-tolylmethyl)-3-[(2-thienylmethylamino)methyl]indole-2-carboxylic acid CAS Name: 6-methoxy-1-[(4-methylphenyl)methyl]-3-[(thiophen-2-ylmethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 6-methoxy-1-[(4-methylphenyl)methyl]-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid Traditional Name: 6-methoxy-1-(4-methylbenzyl)-3-[(2-thenylamino)methyl]indole-2-carboxylic acid Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)OC)C(=C2C(=O)O)CNCC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)OC)C(=C2C(=O)O)CNCC4=CC=CS4

InChI

InChI=1S/C24H24N2O3S/c1-16-5-7-17(8-6-16)15-26-22-12-18(29-2)9-10-20(22)21(23(26)24(27)28)14-25-13-19-4-3-11-30-19/h3-12,25H,13-15H2,1-2H3,(H,27,28)