3-[2-cyclopentylethanoyl-[(3-methylphenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[2-cyclopentylethanoyl-[(3-methylphenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2-cyclopentylacetyl)-(m-tolylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(2-cyclopentyl-1-oxoethyl)-[(3-methylphenyl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-cyclopentylacetyl)-[(3-methylphenyl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2-cyclopentylacetyl)-(3-methylbenzyl)amino]-5-phenyl-2-thenoic acid Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)CC4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)CC4CCCC4

InChI

InChI=1S/C26H27NO3S/c1-18-8-7-11-20(14-18)17-27(24(28)15-19-9-5-6-10-19)22-16-23(31-25(22)26(29)30)21-12-3-2-4-13-21/h2-4,7-8,11-14,16,19H,5-6,9-10,15,17H2,1H3,(H,29,30)