3-(3-methoxyphenyl)-4-(3-phenoxy-2-pyrrolidin-1-yl-propyl)-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 3-(3-methoxyphenyl)-4-(3-phenoxy-2-pyrrolidin-1-yl-propyl)-2,3-dihydro-1,4-benzoxazine Openeye Name: 3-(3-methoxyphenyl)-4-(3-phenoxy-2-pyrrolidin-1-yl-propyl)-2,3-dihydro-1,4-benzoxazine CAS Name: 3-(3-methoxyphenyl)-4-[3-phenoxy-2-(1-pyrrolidinyl)propyl]-2,3-dihydro-1,4-benzoxazine IUPAC Name: 3-(3-methoxyphenyl)-4-(3-phenoxy-2-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzoxazine Traditional Name: 3-(3-methoxyphenyl)-4-(3-phenoxy-2-pyrrolidino-propyl)-2,3-dihydro-1,4-benzoxazine Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2COC3=CC=CC=C3N2CC(COC4=CC=CC=C4)N5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C2COC3=CC=CC=C3N2CC(COC4=CC=CC=C4)N5CCCC5

InChI

InChI=1S/C28H32N2O3/c1-31-25-13-9-10-22(18-25)27-21-33-28-15-6-5-14-26(28)30(27)19-23(29-16-7-8-17-29)20-32-24-11-3-2-4-12-24/h2-6,9-15,18,23,27H,7-8,16-17,19-21H2,1H3