2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]pent-4-ynoic acid

Systemtic Name: 2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]pent-4-ynoic acid Openeye Name: 2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]pent-4-ynoic acid CAS Name: 2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]-4-pentynoic acid IUPAC Name: 2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]pent-4-ynoic acid Traditional Name: 2-[(3-carbomethoxyadamantane-1-carbonyl)amino]pent-4-ynoic acid Formula: C18H23NO5 MolecularWeight: 333.37892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NC(CC#C)C(=O)O

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NC(CC#C)C(=O)O

InChI

InChI=1S/C18H23NO5/c1-3-4-13(14(20)21)19-15(22)17-6-11-5-12(7-17)9-18(8-11,10-17)16(23)24-2/h1,11-13H,4-10H2,2H3,(H,19,22)(H,20,21)