methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-(1-adamantyl)-2-quinolinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C30H32N2O3 MolecularWeight: 468.58668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C(=C2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C(=C2)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H32N2O3/c1-35-29(34)27(14-19-7-3-2-4-8-19)32-28(33)26-15-24(23-9-5-6-10-25(23)31-26)30-16-20-11-21(17-30)13-22(12-20)18-30/h2-10,15,20-22,27H,11-14,16-18H2,1H3,(H,32,33)/t20?,21?,22?,27-,30?/m0/s1