2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-[4-(1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]propanoic acid

Systemtic Name: 2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-[4-(1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]propanoic acid Openeye Name: 2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-[4-(1-methyl-2-oxo-3-pyridyl)phenyl]propanoic acid CAS Name: 2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]-3-[4-(1-methyl-2-oxo-3-pyridinyl)phenyl]propanoic acid IUPAC Name: 2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-[4-(1-methyl-2-oxopyridin-3-yl)phenyl]propanoic acid Traditional Name: 2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-[4-(2-keto-1-methyl-3-pyridyl)phenyl]propionic acid Formula: C28H32N2O6 MolecularWeight: 492.56348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C(C1=O)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C34CC5CC(C3)CC(C5)(C4)C(=O)OC

Isomeric SMILES

CN1C=CC=C(C1=O)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C34CC5CC(C3)CC(C5)(C4)C(=O)OC

InChI

InChI=1S/C28H32N2O6/c1-30-9-3-4-21(23(30)31)20-7-5-17(6-8-20)11-22(24(32)33)29-25(34)27-12-18-10-19(13-27)15-28(14-18,16-27)26(35)36-2/h3-9,18-19,22H,10-16H2,1-2H3,(H,29,34)(H,32,33)