cyclopentyl (4R,5S)-4-(3-methoxy-2-propan-2-yloxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: cyclopentyl (4R,5S)-4-(3-methoxy-2-propan-2-yloxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: cyclopentyl (4R,5S)-4-(2-isopropoxy-3-methoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4R,5S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(2-isopropoxy-3-methoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid cyclopentyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=C1OC)C2C(C(=C)NC(=O)N2)C(=O)OC3CCCC3

Isomeric SMILES

CC(C)OC1=C(C=CC=C1OC)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OC3CCCC3

InChI

InChI=1S/C21H28N2O5/c1-12(2)27-19-15(10-7-11-16(19)26-4)18-17(13(3)22-21(25)23-18)20(24)28-14-8-5-6-9-14/h7,10-12,14,17-18H,3,5-6,8-9H2,1-2,4H3,(H2,22,23,25)/t17-,18+/m1/s1