4-[[[3-[3-(azocan-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methylamino]methyl]hepta-1,6-dien-4-ol

Systemtic Name: 4-[[[3-[3-(azocan-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methylamino]methyl]hepta-1,6-dien-4-ol Openeye Name: 4-[[[3-[3-(azocan-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methylamino]methyl]hepta-1,6-dien-4-ol CAS Name: 4-[[[3-[3-(1-azocanyl)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]methyl]-4-hepta-1,6-dienol IUPAC Name: 4-[[[3-[3-(azocan-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]methyl]hepta-1,6-dien-4-ol Traditional Name: 4-[[[3-[3-(azocan-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]amino]methyl]hepta-1,6-dien-4-ol Formula: C26H42N2O4 MolecularWeight: 446.62268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC(CC=C)(CC=C)O)OCC(CN2CCCCCCC2)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC(CC=C)(CC=C)O)OCC(CN2CCCCCCC2)O

InChI

InChI=1S/C26H42N2O4/c1-4-13-26(30,14-5-2)21-27-18-22-11-12-24(31-3)25(17-22)32-20-23(29)19-28-15-9-7-6-8-10-16-28/h4-5,11-12,17,23,27,29-30H,1-2,6-10,13-16,18-21H2,3H3