3-(4-methoxyphenyl)-4-[3-(2-methylpropoxy)-2-piperidin-1-yl-propyl]-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 3-(4-methoxyphenyl)-4-[3-(2-methylpropoxy)-2-piperidin-1-yl-propyl]-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-[3-isobutoxy-2-(1-piperidyl)propyl]-3-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine CAS Name: 3-(4-methoxyphenyl)-4-[3-(2-methylpropoxy)-2-(1-piperidinyl)propyl]-2,3-dihydro-1,4-benzoxazine IUPAC Name: 3-(4-methoxyphenyl)-4-[3-(2-methylpropoxy)-2-piperidin-1-ylpropyl]-2,3-dihydro-1,4-benzoxazine Traditional Name: 4-(3-isobutoxy-2-piperidino-propyl)-3-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(CN1C(COC2=CC=CC=C21)C3=CC=C(C=C3)OC)N4CCCCC4

Isomeric SMILES

CC(C)COCC(CN1C(COC2=CC=CC=C21)C3=CC=C(C=C3)OC)N4CCCCC4

InChI

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