methyl 4-[(E)-3-[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethoxy]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C=CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)/C=C/C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H29NO5/c1-15(22(27)25-24-12-17-9-18(13-24)11-19(10-17)14-24)30-21(26)8-5-16-3-6-20(7-4-16)23(28)29-2/h3-8,15,17-19H,9-14H2,1-2H3,(H,25,27)/b8-5+/t15-,17?,18?,19?,24?/m1/s1