(4S,4aR)-4-(3,4-dimethoxyphenyl)-1,3,4,4a,6,7-hexahydroquinazoline-2,5-dione

Systemtic Name: (4S,4aR)-4-(3,4-dimethoxyphenyl)-1,3,4,4a,6,7-hexahydroquinazoline-2,5-dione Openeye Name: (4S,4aR)-4-(3,4-dimethoxyphenyl)-1,3,4,4a,6,7-hexahydroquinazoline-2,5-dione CAS Name: (4S,4aR)-4-(3,4-dimethoxyphenyl)-1,3,4,4a,6,7-hexahydroquinazoline-2,5-dione IUPAC Name: (4S,4aR)-4-(3,4-dimethoxyphenyl)-1,3,4,4a,6,7-hexahydroquinazoline-2,5-dione Traditional Name: (4S,4aR)-4-(3,4-dimethoxyphenyl)-1,3,4,4a,6,7-hexahydroquinazoline-2,5-quinone Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3C(=O)CCC=C3NC(=O)N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2[C@H]3C(=O)CCC=C3NC(=O)N2)OC

InChI

InChI=1S/C16H18N2O4/c1-21-12-7-6-9(8-13(12)22-2)15-14-10(17-16(20)18-15)4-3-5-11(14)19/h4,6-8,14-15H,3,5H2,1-2H3,(H2,17,18,20)/t14-,15-/m1/s1