4-[(2-carboxy-5-phenyl-thiophen-3-yl)-(4-methylphenyl)carbonyl-amino]piperidine-1-carboxylic acid

Systemtic Name: 4-[(2-carboxy-5-phenyl-thiophen-3-yl)-(4-methylphenyl)carbonyl-amino]piperidine-1-carboxylic acid Openeye Name: 4-[(2-carboxy-5-phenyl-3-thienyl)-(4-methylbenzoyl)amino]piperidine-1-carboxylic acid CAS Name: 4-[(2-carboxy-5-phenyl-3-thiophenyl)-[(4-methylphenyl)-oxomethyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 4-[(2-carboxy-5-phenylthiophen-3-yl)-(4-methylbenzoyl)amino]piperidine-1-carboxylic acid Traditional Name: 4-[(2-carboxy-5-phenyl-3-thienyl)-p-toluoyl-amino]piperidine-1-carboxylic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H24N2O5S/c1-16-7-9-18(10-8-16)23(28)27(19-11-13-26(14-12-19)25(31)32)20-15-21(33-22(20)24(29)30)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,29,30)(H,31,32)