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

Systemtic Name: methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-(4-benzyloxyphenyl)propanoate CAS Name: (2S)-2-[[[4-(1-adamantyl)-2-quinolinyl]-oxomethyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-(4-benzoxyphenyl)propionic acid methyl ester Formula: C37H38N2O4 MolecularWeight: 574.70862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4C(=C3)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4C(=C3)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C37H38N2O4/c1-42-36(41)34(18-24-11-13-29(14-12-24)43-23-25-7-3-2-4-8-25)39-35(40)33-19-31(30-9-5-6-10-32(30)38-33)37-20-26-15-27(21-37)17-28(16-26)22-37/h2-14,19,26-28,34H,15-18,20-23H2,1H3,(H,39,40)/t26?,27?,28?,34-,37?/m0/s1