3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 8-ethoxy-3-homoveratryl-5H-pyrimid[5,4-b]indol-4-one Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H23N3O4/c1-4-29-15-6-7-17-16(12-15)20-21(24-17)22(26)25(13-23-20)10-9-14-5-8-18(27-2)19(11-14)28-3/h5-8,11-13,24H,4,9-10H2,1-3H3