4-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-yl-propyl]-3-(3-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 4-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-yl-propyl]-3-(3-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-yl-propyl]-3-(3-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine CAS Name: 4-[3-(2,2-dimethylpropoxy)-2-(1-pyrrolidinyl)propyl]-3-(3-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine IUPAC Name: 4-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine Traditional Name: 3-(3-methoxyphenyl)-4-(3-neopentyloxy-2-pyrrolidino-propyl)-2,3-dihydro-1,4-benzoxazine Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O3/c1-27(2,3)20-31-18-22(28-14-7-8-15-28)17-29-24-12-5-6-13-26(24)32-19-25(29)21-10-9-11-23(16-21)30-4/h5-6,9-13,16,22,25H,7-8,14-15,17-20H2,1-4H3