2-[[4-[(2R)-3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methylamino]-2-methyl-propan-1-ol

Systemtic Name: 2-[[4-[(2R)-3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methylamino]-2-methyl-propan-1-ol Openeye Name: 2-[[4-[(2R)-3-(azepan-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methylamino]-2-methyl-propan-1-ol CAS Name: 2-[[4-[(2R)-3-(1-azepanyl)-2-hydroxypropoxy]-3-methoxyphenyl]methylamino]-2-methyl-1-propanol IUPAC Name: 2-[[4-[(2R)-3-(azepan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol Traditional Name: 2-[[4-[(2R)-3-(azepan-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]amino]-2-methyl-propan-1-ol Formula: C21H36N2O4 MolecularWeight: 380.52154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NCC1=CC(=C(C=C1)OCC(CN2CCCCCC2)O)OC

Isomeric SMILES

CC(C)(CO)NCC1=CC(=C(C=C1)OC[C@@H](CN2CCCCCC2)O)OC

InChI

InChI=1S/C21H36N2O4/c1-21(2,16-24)22-13-17-8-9-19(20(12-17)26-3)27-15-18(25)14-23-10-6-4-5-7-11-23/h8-9,12,18,22,24-25H,4-7,10-11,13-16H2,1-3H3/t18-/m1/s1