(2-heptoxyphenyl)carbamic acid; 2-pyrrolidin-1-ylethanol; hydrochloride

Systemtic Name: (2-heptoxyphenyl)carbamic acid; 2-pyrrolidin-1-ylethanol; hydrochloride Openeye Name: (2-heptoxyphenyl)carbamic acid; 2-pyrrolidin-1-ylethanol; hydrochloride CAS Name: (2-heptoxyphenyl)carbamic acid; 2-(1-pyrrolidinyl)ethanol; hydrochloride IUPAC Name: (2-heptoxyphenyl)carbamic acid; 2-pyrrolidin-1-ylethanol; hydrochloride Traditional Name: (2-heptoxyphenyl)carbamic acid; 2-pyrrolidinoethanol; hydrochloride Formula: C20H35ClN2O4 MolecularWeight: 402.9559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)O.C1CCN(C1)CCO.Cl

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)O.C1CCN(C1)CCO.Cl

InChI

InChI=1S/C14H21NO3.C6H13NO.ClH/c1-2-3-4-5-8-11-18-13-10-7-6-9-12(13)15-14(16)17;8-6-5-7-3-1-2-4-7;/h6-7,9-10,15H,2-5,8,11H2,1H3,(H,16,17);8H,1-6H2;1H