1-[(diphenylmethyl)amino]-3-(2-ethoxy-6-prop-2-enyl-phenoxy)propan-2-ol hydrochloride

Systemtic Name: 1-[(diphenylmethyl)amino]-3-(2-ethoxy-6-prop-2-enyl-phenoxy)propan-2-ol hydrochloride Openeye Name: 1-(2-allyl-6-ethoxy-phenoxy)-3-(benzhydrylamino)propan-2-ol hydrochloride CAS Name: 1-[(diphenylmethyl)amino]-3-(2-ethoxy-6-prop-2-enylphenoxy)-2-propanol hydrochloride IUPAC Name: 1-(benzhydrylamino)-3-(2-ethoxy-6-prop-2-enylphenoxy)propan-2-ol hydrochloride Traditional Name: 1-(2-allyl-6-ethoxy-phenoxy)-3-(benzhydrylamino)propan-2-ol hydrochloride Formula: C27H32ClNO3 MolecularWeight: 454.00088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC(CNC(C2=CC=CC=C2)C3=CC=CC=C3)O)CC=C.Cl

Isomeric SMILES

CCOC1=CC=CC(=C1OCC(CNC(C2=CC=CC=C2)C3=CC=CC=C3)O)CC=C.Cl

InChI

InChI=1S/C27H31NO3.ClH/c1-3-12-23-17-11-18-25(30-4-2)27(23)31-20-24(29)19-28-26(21-13-7-5-8-14-21)22-15-9-6-10-16-22;/h3,5-11,13-18,24,26,28-29H,1,4,12,19-20H2,2H3;1H