cyclododecyl (3S,4S)-4-[(2,6-dimethylphenyl)carbamoyl]-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate

Systemtic Name: cyclododecyl (3S,4S)-4-[(2,6-dimethylphenyl)carbamoyl]-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate Openeye Name: cyclododecyl (3S,4S)-4-[(2,6-dimethylphenyl)carbamoyl]-2-oxo-chromane-3-carboxylate CAS Name: (3S,4S)-4-[(2,6-dimethylanilino)-oxomethyl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid cyclododecyl ester IUPAC Name: cyclododecyl (3S,4S)-4-[(2,6-dimethylphenyl)carbamoyl]-2-oxo-3,4-dihydrochromene-3-carboxylate Traditional Name: (3S,4S)-4-[(2,6-dimethylphenyl)carbamoyl]-2-keto-chroman-3-carboxylic acid cyclododecyl ester Formula: C31H39NO5 MolecularWeight: 505.64506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2C(C(=O)OC3=CC=CC=C23)C(=O)OC4CCCCCCCCCCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H]2[C@H](C(=O)OC3=CC=CC=C23)C(=O)OC4CCCCCCCCCCC4

InChI

InChI=1S/C31H39NO5/c1-21-15-14-16-22(2)28(21)32-29(33)26-24-19-12-13-20-25(24)37-31(35)27(26)30(34)36-23-17-10-8-6-4-3-5-7-9-11-18-23/h12-16,19-20,23,26-27H,3-11,17-18H2,1-2H3,(H,32,33)/t26-,27+/m1/s1