3-[(4-methylphenyl)carbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylphenyl)carbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1-tert-butoxycarbonyl-4-piperidyl)-(4-methylbenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylphenyl)-oxomethyl]-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylbenzoyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-tert-butoxycarbonyl-4-piperidyl)-p-toluoyl-amino]-5-phenyl-2-thenoic acid Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(C2CCN(CC2)C(=O)OC(C)(C)C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(C2CCN(CC2)C(=O)OC(C)(C)C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H32N2O5S/c1-19-10-12-21(13-11-19)26(32)31(22-14-16-30(17-15-22)28(35)36-29(2,3)4)23-18-24(37-25(23)27(33)34)20-8-6-5-7-9-20/h5-13,18,22H,14-17H2,1-4H3,(H,33,34)