[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C29H29NO5 MolecularWeight: 471.54426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C29H29NO5/c1-17-25(32)22-8-5-9-23(27(22)35-26(17)21-6-3-2-4-7-21)28(33)34-16-24(31)30-29-13-18-10-19(14-29)12-20(11-18)15-29/h2-9,18-20H,10-16H2,1H3,(H,30,31)