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

Systemtic Name: 2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-[4-(1-methyl-2-oxidanylidene-pyridin-3-yl)carbonyloxyphenyl]propanoic acid Openeye Name: 2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-[4-(1-methyl-2-oxo-pyridine-3-carbonyl)oxyphenyl]propanoic acid CAS Name: 2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]-3-[4-[(1-methyl-2-oxo-3-pyridinyl)-oxomethoxy]phenyl]propanoic acid IUPAC Name: 2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-[4-(1-methyl-2-oxopyridine-3-carbonyl)oxyphenyl]propanoic acid Traditional Name: 2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-[4-(2-keto-1-methyl-nicotinoyl)oxyphenyl]propionic acid Formula: C29H32N2O8 MolecularWeight: 536.57298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C(C1=O)C(=O)OC2=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)C(=O)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C34CC5CC(C3)CC(C5)(C4)C(=O)OC

InChI

InChI=1S/C29H32N2O8/c1-31-9-3-4-21(23(31)32)25(35)39-20-7-5-17(6-8-20)11-22(24(33)34)30-26(36)28-12-18-10-19(13-28)15-29(14-18,16-28)27(37)38-2/h3-9,18-19,22H,10-16H2,1-2H3,(H,30,36)(H,33,34)