2-methoxyethyl (5R,6S)-4-methylidene-2-oxidanylidene-6-(4-pentoxyphenyl)-1,3-diazinane-5-carboxylate

Systemtic Name: 2-methoxyethyl (5R,6S)-4-methylidene-2-oxidanylidene-6-(4-pentoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (5R,6S)-4-methylene-2-oxo-6-(4-pentoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-2-oxo-6-(4-pentoxyphenyl)-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (5R,6S)-4-methylidene-2-oxo-6-(4-pentoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(4-amoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCCOC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCCOC

InChI

InChI=1S/C20H28N2O5/c1-4-5-6-11-26-16-9-7-15(8-10-16)18-17(14(2)21-20(24)22-18)19(23)27-13-12-25-3/h7-10,17-18H,2,4-6,11-13H2,1,3H3,(H2,21,22,24)/t17-,18+/m0/s1