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

Systemtic Name: cyclohexanamine; 2-[3-methyl-4-[(3-methyl-4-prop-2-enoxy-phenyl)methoxy]phenyl]ethanoic acid Openeye Name: 2-[4-[(4-allyloxy-3-methyl-phenyl)methoxy]-3-methyl-phenyl]acetic acid; cyclohexanamine CAS Name: cyclohexanamine; 2-[3-methyl-4-[(3-methyl-4-prop-2-enoxyphenyl)methoxy]phenyl]acetic acid IUPAC Name: cyclohexanamine; 2-[3-methyl-4-[(3-methyl-4-prop-2-enoxyphenyl)methoxy]phenyl]acetic acid Traditional Name: 2-[4-(4-allyloxy-3-methyl-benzyl)oxy-3-methyl-phenyl]acetic acid; cyclohexylamine Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O4.C6H13N/c1-4-9-23-18-8-6-17(11-15(18)3)13-24-19-7-5-16(10-14(19)2)12-20(21)22;7-6-4-2-1-3-5-6/h4-8,10-11H,1,9,12-13H2,2-3H3,(H,21,22);6H,1-5,7H2