2-[1-phenyl-3-(propan-2-ylamino)propyl]-4-propyl-phenol hydrochloride

Systemtic Name: 2-[1-phenyl-3-(propan-2-ylamino)propyl]-4-propyl-phenol hydrochloride Openeye Name: 2-[3-(isopropylamino)-1-phenyl-propyl]-4-propyl-phenol hydrochloride CAS Name: 2-[1-phenyl-3-(propan-2-ylamino)propyl]-4-propylphenol hydrochloride IUPAC Name: 2-[1-phenyl-3-(propan-2-ylamino)propyl]-4-propylphenol hydrochloride Traditional Name: 2-[3-(isopropylamino)-1-phenyl-propyl]-4-propyl-phenol hydrochloride Formula: C21H30ClNO MolecularWeight: 347.922

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)O)C(CCNC(C)C)C2=CC=CC=C2.Cl

Isomeric SMILES

CCCC1=CC(=C(C=C1)O)C(CCNC(C)C)C2=CC=CC=C2.Cl

InChI

InChI=1S/C21H29NO.ClH/c1-4-8-17-11-12-21(23)20(15-17)19(13-14-22-16(2)3)18-9-6-5-7-10-18;/h5-7,9-12,15-16,19,22-23H,4,8,13-14H2,1-3H3;1H