2-[2-azanyl-4-(3-propan-2-ylphenoxy)phenyl]hexane-1,3-diol

Systemtic Name: 2-[2-azanyl-4-(3-propan-2-ylphenoxy)phenyl]hexane-1,3-diol Openeye Name: 2-[2-amino-4-(3-isopropylphenoxy)phenyl]hexane-1,3-diol CAS Name: 2-[2-amino-4-(3-propan-2-ylphenoxy)phenyl]hexane-1,3-diol IUPAC Name: 2-[2-amino-4-(3-propan-2-ylphenoxy)phenyl]hexane-1,3-diol Traditional Name: 2-[2-amino-4-(3-isopropylphenoxy)phenyl]hexane-1,3-diol Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CO)C1=C(C=C(C=C1)OC2=CC=CC(=C2)C(C)C)N)O

Isomeric SMILES

CCCC(C(CO)C1=C(C=C(C=C1)OC2=CC=CC(=C2)C(C)C)N)O

InChI

InChI=1S/C21H29NO3/c1-4-6-21(24)19(13-23)18-10-9-17(12-20(18)22)25-16-8-5-7-15(11-16)14(2)3/h5,7-12,14,19,21,23-24H,4,6,13,22H2,1-3H3