1-[2-(3-chloranyl-4-ethoxy-phenyl)-2-oxidanylidene-ethyl]-6,7-dimethoxy-3-(phenylmethyl)quinazoline-2,4-dione

Systemtic Name: 1-[2-(3-chloranyl-4-ethoxy-phenyl)-2-oxidanylidene-ethyl]-6,7-dimethoxy-3-(phenylmethyl)quinazoline-2,4-dione Openeye Name: 3-benzyl-1-[2-(3-chloro-4-ethoxy-phenyl)-2-oxo-ethyl]-6,7-dimethoxy-quinazoline-2,4-dione CAS Name: 1-[2-(3-chloro-4-ethoxyphenyl)-2-oxoethyl]-6,7-dimethoxy-3-(phenylmethyl)quinazoline-2,4-dione IUPAC Name: 3-benzyl-1-[2-(3-chloro-4-ethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione Traditional Name: 3-benzyl-1-[2-(3-chloro-4-ethoxy-phenyl)-2-keto-ethyl]-6,7-dimethoxy-quinazoline-2,4-quinone Formula: C27H25ClN2O6 MolecularWeight: 508.9502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CC4=CC=CC=C4)OC)OC)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CC4=CC=CC=C4)OC)OC)Cl

InChI

InChI=1S/C27H25ClN2O6/c1-4-36-23-11-10-18(12-20(23)28)22(31)16-29-21-14-25(35-3)24(34-2)13-19(21)26(32)30(27(29)33)15-17-8-6-5-7-9-17/h5-14H,4,15-16H2,1-3H3