6-[[(3R,4R,5S)-4-[4-[[(2R)-2-ethoxypropoxy]methyl]phenyl]-5-(piperidin-1-ylmethyl)piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 6-[[(3R,4R,5S)-4-[4-[[(2R)-2-ethoxypropoxy]methyl]phenyl]-5-(piperidin-1-ylmethyl)piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine Openeye Name: 6-[[(3R,4R,5S)-4-[4-[[(2R)-2-ethoxypropoxy]methyl]phenyl]-5-(1-piperidylmethyl)-3-piperidyl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine CAS Name: 6-[[(3R,4R,5S)-4-[4-[[(2R)-2-ethoxypropoxy]methyl]phenyl]-5-(1-piperidinylmethyl)-3-piperidinyl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine IUPAC Name: 6-[[(3R,4R,5S)-4-[4-[[(2R)-2-ethoxypropoxy]methyl]phenyl]-5-(piperidin-1-ylmethyl)piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine Traditional Name: 6-[[(3R,4R,5S)-4-[4-[[(2R)-2-ethoxypropoxy]methyl]phenyl]-5-(piperidinomethyl)-3-piperidyl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine Formula: C36H55N3O5 MolecularWeight: 609.839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)COCC1=CC=C(C=C1)C2C(CNCC2OCC3=CC4=C(C=C3)OCCN4CCCOC)CN5CCCCC5

Isomeric SMILES

CCO[C@H](C)COCC1=CC=C(C=C1)[C@H]2[C@@H](CNC[C@@H]2OCC3=CC4=C(C=C3)OCCN4CCCOC)CN5CCCCC5

InChI

InChI=1S/C36H55N3O5/c1-4-42-28(2)25-41-26-29-9-12-31(13-10-29)36-32(24-38-15-6-5-7-16-38)22-37-23-35(36)44-27-30-11-14-34-33(21-30)39(18-20-43-34)17-8-19-40-3/h9-14,21,28,32,35-37H,4-8,15-20,22-27H2,1-3H3/t28-,32+,35+,36+/m1/s1