2-adamantyl-[2-methyl-1-oxidanylidene-1-(phenethylamino)-3-quinolin-2-yl-propan-2-yl]carbamic acid

Systemtic Name: 2-adamantyl-[2-methyl-1-oxidanylidene-1-(phenethylamino)-3-quinolin-2-yl-propan-2-yl]carbamic acid Openeye Name: 2-adamantyl-[1-methyl-2-oxo-2-(phenethylamino)-1-(2-quinolylmethyl)ethyl]carbamic acid CAS Name: 2-adamantyl-[2-methyl-1-oxo-1-(phenethylamino)-3-(2-quinolinyl)propan-2-yl]carbamic acid IUPAC Name: 2-adamantyl-[2-methyl-1-oxo-1-(phenethylamino)-3-quinolin-2-ylpropan-2-yl]carbamic acid Traditional Name: 2-adamantyl-[2-keto-1-methyl-2-(phenethylamino)-1-(2-quinolylmethyl)ethyl]carbamic acid Formula: C32H37N3O3 MolecularWeight: 511.65448

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2C=C1)(C(=O)NCCC3=CC=CC=C3)N(C4C5CC6CC(C5)CC4C6)C(=O)O

Isomeric SMILES

CC(CC1=NC2=CC=CC=C2C=C1)(C(=O)NCCC3=CC=CC=C3)N(C4C5CC6CC(C5)CC4C6)C(=O)O

InChI

InChI=1S/C32H37N3O3/c1-32(30(36)33-14-13-21-7-3-2-4-8-21,20-27-12-11-24-9-5-6-10-28(24)34-27)35(31(37)38)29-25-16-22-15-23(18-25)19-26(29)17-22/h2-12,22-23,25-26,29H,13-20H2,1H3,(H,33,36)(H,37,38)