4-[[(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methylamino]methyl]benzoic acid hydrochloride

Systemtic Name: 4-[[(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methylamino]methyl]benzoic acid hydrochloride Openeye Name: 4-[[(3-allyl-4-ethoxy-5-methoxy-phenyl)methylamino]methyl]benzoic acid hydrochloride CAS Name: 4-[[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]benzoic acid hydrochloride IUPAC Name: 4-[[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]benzoic acid hydrochloride Traditional Name: 4-[[(3-allyl-4-ethoxy-5-methoxy-benzyl)amino]methyl]benzoic acid hydrochloride Formula: C21H26ClNO4 MolecularWeight: 391.88844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1OC)CNCC2=CC=C(C=C2)C(=O)O)CC=C.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1OC)CNCC2=CC=C(C=C2)C(=O)O)CC=C.Cl

InChI

InChI=1S/C21H25NO4.ClH/c1-4-6-18-11-16(12-19(25-3)20(18)26-5-2)14-22-13-15-7-9-17(10-8-15)21(23)24;/h4,7-12,22H,1,5-6,13-14H2,2-3H3,(H,23,24);1H