1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid Openeye Name: 1-[(4-methoxyphenyl)methyl]-6-methyl-3-[[2-(2-thienyl)ethylamino]methyl]indole-2-carboxylic acid CAS Name: 1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(2-thiophen-2-ylethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid Traditional Name: 6-methyl-1-p-anisyl-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=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)OC)C(=O)O)CNCCC4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)OC)C(=O)O)CNCCC4=CC=CS4

InChI

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