[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate

Systemtic Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate Openeye Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC5=CC=CC=C5OC4

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC5=CC=CC=C5OC4

InChI

InChI=1S/C24H29NO4/c1-15(24-10-16-6-17(11-24)8-18(7-16)12-24)25-22(26)14-29-23(27)20-9-19-4-2-3-5-21(19)28-13-20/h2-5,9,15-18H,6-8,10-14H2,1H3,(H,25,26)/t15-,16?,17?,18?,24?/m1/s1