cyclohexanamine; (2E)-2-[3-(phenylmethyl)cyclohexylidene]ethanoic acid

Systemtic Name: cyclohexanamine; (2E)-2-[3-(phenylmethyl)cyclohexylidene]ethanoic acid Openeye Name: (2E)-2-(3-benzylcyclohexylidene)acetic acid; cyclohexanamine CAS Name: cyclohexanamine; (2E)-2-[3-(phenylmethyl)cyclohexylidene]acetic acid IUPAC Name: (2E)-2-(3-benzylcyclohexylidene)acetic acid; cyclohexanamine Traditional Name: (2E)-2-(3-benzylcyclohexylidene)acetic acid; cyclohexylamine Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N.C1CC(CC(=CC(=O)O)C1)CC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)N.C1CC(C/C(=C/C(=O)O)/C1)CC2=CC=CC=C2

InChI

InChI=1S/C15H18O2.C6H13N/c16-15(17)11-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12;7-6-4-2-1-3-5-6/h1-3,5-6,11,13H,4,7-10H2,(H,16,17);6H,1-5,7H2/b14-11+;