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

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

Systemtic Name:6-methyl-1-[(4-methylphenyl)methyl]-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid
Openeye Name:6-methyl-1-(p-tolylmethyl)-3-[[2-(2-thienyl)ethylamino]methyl]indole-2-carboxylic acid
CAS Name:6-methyl-1-[(4-methylphenyl)methyl]-3-[(2-thiophen-2-ylethylamino)methyl]-2-indolecarboxylic acid
IUPAC Name:6-methyl-1-[(4-methylphenyl)methyl]-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid
Traditional Name:6-methyl-1-(4-methylbenzyl)-3-[[2-(2-thienyl)ethylamino]methyl]indole-2-carboxylic acid
Formula: C25H26N2O2S
MolecularWeight: 418.55114
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C)C(=C2C(=O)O)CNCCC4=CC=CS4


Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C)C(=C2C(=O)O)CNCCC4=CC=CS4


InChI

InChI=1S/C25H26N2O2S/c1-17-5-8-19(9-6-17)16-27-23-14-18(2)7-10-21(23)22(24(27)25(28)29)15-26-12-11-20-4-3-13-30-20/h3-10,13-14,26H,11-12,15-16H2,1-2H3,(H,28,29)


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