2-cyclohepta-2,4,6-trien-1-ylethanoic acid; N-cyclohexylcyclohexanamine

Systemtic Name: 2-cyclohepta-2,4,6-trien-1-ylethanoic acid; N-cyclohexylcyclohexanamine Openeye Name: 2-cyclohepta-2,4,6-trien-1-ylacetic acid; N-cyclohexylcyclohexanamine CAS Name: 2-(1-cyclohepta-2,4,6-trienyl)acetic acid; N-cyclohexylcyclohexanamine IUPAC Name: 2-cyclohepta-2,4,6-trien-1-ylacetic acid; N-cyclohexylcyclohexanamine Traditional Name: 2-cyclohepta-2,4,6-trien-1-ylacetic acid; dicyclohexylamine Formula: C21H33NO2 MolecularWeight: 331.49222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2CCCCC2.C1=CC=CC(C=C1)CC(=O)O

Isomeric SMILES

C1CCC(CC1)NC2CCCCC2.C1=CC=CC(C=C1)CC(=O)O

InChI

InChI=1S/C12H23N.C9H10O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;10-9(11)7-8-5-3-1-2-4-6-8/h11-13H,1-10H2;1-6,8H,7H2,(H,10,11)