[4-[2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]phenyl] 1-methyl-2-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: [4-[2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]phenyl] 1-methyl-2-oxidanylidene-pyridine-3-carboxylate Openeye Name: [4-[3-benzyloxy-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-oxo-propyl]phenyl] 1-methyl-2-oxo-pyridine-3-carboxylate CAS Name: 1-methyl-2-oxo-3-pyridinecarboxylic acid [4-[2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]-3-oxo-3-phenylmethoxypropyl]phenyl] ester IUPAC Name: [4-[2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-oxo-3-phenylmethoxypropyl]phenyl] 1-methyl-2-oxopyridine-3-carboxylate Traditional Name: 2-keto-1-methyl-nicotinic acid [4-[3-benzoxy-2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-keto-propyl]phenyl] ester Formula: C36H38N2O8 MolecularWeight: 626.69552

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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)OCC3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)C(=O)OC

Isomeric SMILES

CN1C=CC=C(C1=O)C(=O)OC2=CC=C(C=C2)CC(C(=O)OCC3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)C(=O)OC

InChI

InChI=1S/C36H38N2O8/c1-38-14-6-9-28(30(38)39)31(40)46-27-12-10-23(11-13-27)16-29(32(41)45-21-24-7-4-3-5-8-24)37-33(42)35-17-25-15-26(18-35)20-36(19-25,22-35)34(43)44-2/h3-14,25-26,29H,15-22H2,1-2H3,(H,37,42)