3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]propanoic acid Traditional Name: 2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C25H32N2O7 MolecularWeight: 472.53078

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

InChI

InChI=1S/C25H32N2O7/c1-27(2)23(32)34-18-6-4-15(5-7-18)9-19(20(28)29)26-21(30)24-10-16-8-17(11-24)13-25(12-16,14-24)22(31)33-3/h4-7,16-17,19H,8-14H2,1-3H3,(H,26,30)(H,28,29)