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

Systemtic Name: 6-methoxy-1-[(2-methylphenyl)methyl]-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid Openeye Name: 6-methoxy-1-(o-tolylmethyl)-3-[[2-(2-thienyl)ethylamino]methyl]indole-2-carboxylic acid CAS Name: 6-methoxy-1-[(2-methylphenyl)methyl]-3-[(2-thiophen-2-ylethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 6-methoxy-1-[(2-methylphenyl)methyl]-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid Traditional Name: 6-methoxy-1-(2-methylbenzyl)-3-[[2-(2-thienyl)ethylamino]methyl]indole-2-carboxylic acid Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)OC)C(=C2C(=O)O)CNCCC4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)OC)C(=C2C(=O)O)CNCCC4=CC=CS4

InChI

InChI=1S/C25H26N2O3S/c1-17-6-3-4-7-18(17)16-27-23-14-19(30-2)9-10-21(23)22(24(27)25(28)29)15-26-12-11-20-8-5-13-31-20/h3-10,13-14,26H,11-12,15-16H2,1-2H3,(H,28,29)