cyclohexanamine; 2-[3-methyl-4-[(4-prop-2-enoxyphenyl)methoxy]phenyl]ethanoic acid

Systemtic Name: cyclohexanamine; 2-[3-methyl-4-[(4-prop-2-enoxyphenyl)methoxy]phenyl]ethanoic acid Openeye Name: 2-[4-[(4-allyloxyphenyl)methoxy]-3-methyl-phenyl]acetic acid; cyclohexanamine CAS Name: cyclohexanamine; 2-[3-methyl-4-[(4-prop-2-enoxyphenyl)methoxy]phenyl]acetic acid IUPAC Name: cyclohexanamine; 2-[3-methyl-4-[(4-prop-2-enoxyphenyl)methoxy]phenyl]acetic acid Traditional Name: 2-[4-(4-allyloxybenzyl)oxy-3-methyl-phenyl]acetic acid; cyclohexylamine Formula: C25H33NO4 MolecularWeight: 411.53382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(=O)O)OCC2=CC=C(C=C2)OCC=C.C1CCC(CC1)N

Isomeric SMILES

CC1=C(C=CC(=C1)CC(=O)O)OCC2=CC=C(C=C2)OCC=C.C1CCC(CC1)N

InChI

InChI=1S/C19H20O4.C6H13N/c1-3-10-22-17-7-4-15(5-8-17)13-23-18-9-6-16(11-14(18)2)12-19(20)21;7-6-4-2-1-3-5-6/h3-9,11H,1,10,12-13H2,2H3,(H,20,21);6H,1-5,7H2