1-[3-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(3-methoxypyrrolidin-1-yl)-5-methyl-hex-5-en-1-ol

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(3-methoxypyrrolidin-1-yl)-5-methyl-hex-5-en-1-ol Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(3-methoxypyrrolidin-1-yl)-5-methyl-hex-5-en-1-ol CAS Name: 1-[3-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(3-methoxy-1-pyrrolidinyl)-5-methyl-5-hexen-1-ol IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(3-methoxypyrrolidin-1-yl)-5-methylhex-5-en-1-ol Traditional Name: 1-[3-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(3-methoxypyrrolidino)-5-methyl-hex-5-en-1-ol Formula: C28H38N2O5 MolecularWeight: 482.61172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CCC(C(N1C(COC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC)O)N4CCC(C4)OC

Isomeric SMILES

CC(=C)CCC(C(N1C(COC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC)O)N4CCC(C4)OC

InChI

InChI=1S/C28H38N2O5/c1-19(2)10-12-23(29-15-14-21(17-29)32-3)28(31)30-22-8-6-7-9-25(22)35-18-24(30)20-11-13-26(33-4)27(16-20)34-5/h6-9,11,13,16,21,23-24,28,31H,1,10,12,14-15,17-18H2,2-5H3