3-(3,4-dimethoxyphenyl)-4-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-2,3-dihydro-1,4-benzoxazine Openeye Name: 3-(3,4-dimethoxyphenyl)-4-(3-isobutoxy-2-pyrrolidin-1-yl-propyl)-2,3-dihydro-1,4-benzoxazine CAS Name: 3-(3,4-dimethoxyphenyl)-4-[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]-2,3-dihydro-1,4-benzoxazine IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-2,3-dihydro-1,4-benzoxazine Traditional Name: 3-(3,4-dimethoxyphenyl)-4-(3-isobutoxy-2-pyrrolidino-propyl)-2,3-dihydro-1,4-benzoxazine Formula: C27H38N2O4 MolecularWeight: 454.60162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(CN1C(COC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC)N4CCCC4

Isomeric SMILES

CC(C)COCC(CN1C(COC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC)N4CCCC4

InChI

InChI=1S/C27H38N2O4/c1-20(2)17-32-18-22(28-13-7-8-14-28)16-29-23-9-5-6-10-25(23)33-19-24(29)21-11-12-26(30-3)27(15-21)31-4/h5-6,9-12,15,20,22,24H,7-8,13-14,16-19H2,1-4H3