3-[(1-azanylpiperidin-4-yl)methyl-(4-methylcyclohexyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(1-azanylpiperidin-4-yl)methyl-(4-methylcyclohexyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1-amino-4-piperidyl)methyl-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(1-amino-4-piperidinyl)methyl-[(4-methylcyclohexyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(1-aminopiperidin-4-yl)methyl-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-amino-4-piperidyl)methyl-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C25H33N3O3S MolecularWeight: 455.61282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(CC2CCN(CC2)N)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(CC2CCN(CC2)N)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H33N3O3S/c1-17-7-9-20(10-8-17)24(29)28(16-18-11-13-27(26)14-12-18)21-15-22(32-23(21)25(30)31)19-5-3-2-4-6-19/h2-6,15,17-18,20H,7-14,16,26H2,1H3,(H,30,31)