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

Systemtic Name: (phenylmethyl) (4S,5R)-4-(4-butoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl (4S,5R)-4-(4-butoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(4-butoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S,5R)-4-(4-butoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(4-butoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4/c1-3-4-14-28-19-12-10-18(11-13-19)21-20(16(2)24-23(27)25-21)22(26)29-15-17-8-6-5-7-9-17/h5-13,20-21H,2-4,14-15H2,1H3,(H2,24,25,27)/t20-,21+/m0/s1