1-(4-butoxyphenyl)-4-[[4-(3-propoxyphenyl)cyclohexyl]amino]butan-1-one hydrochloride

Systemtic Name: 1-(4-butoxyphenyl)-4-[[4-(3-propoxyphenyl)cyclohexyl]amino]butan-1-one hydrochloride Openeye Name: 1-(4-butoxyphenyl)-4-[[4-(3-propoxyphenyl)cyclohexyl]amino]butan-1-one hydrochloride CAS Name: 1-(4-butoxyphenyl)-4-[[4-(3-propoxyphenyl)cyclohexyl]amino]-1-butanone hydrochloride IUPAC Name: 1-(4-butoxyphenyl)-4-[[4-(3-propoxyphenyl)cyclohexyl]amino]butan-1-one hydrochloride Traditional Name: 1-(4-butoxyphenyl)-4-[[4-(3-propoxyphenyl)cyclohexyl]amino]butan-1-one hydrochloride Formula: C29H42ClNO3 MolecularWeight: 488.10168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)CCCNC2CCC(CC2)C3=CC(=CC=C3)OCCC.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)CCCNC2CCC(CC2)C3=CC(=CC=C3)OCCC.Cl

InChI

InChI=1S/C29H41NO3.ClH/c1-3-5-21-33-27-17-13-24(14-18-27)29(31)10-7-19-30-26-15-11-23(12-16-26)25-8-6-9-28(22-25)32-20-4-2;/h6,8-9,13-14,17-18,22-23,26,30H,3-5,7,10-12,15-16,19-21H2,1-2H3;1H