4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]cyclohexene-1-carboxylic acid

Systemtic Name: 4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]cyclohexene-1-carboxylic acid Openeye Name: 4-[2-[4-(diisopropylcarbamoyl)phenyl]ethyl]cyclohexene-1-carboxylic acid CAS Name: 4-[2-[4-[[di(propan-2-yl)amino]-oxomethyl]phenyl]ethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]cyclohexene-1-carboxylic acid Traditional Name: 4-[2-[4-(diisopropylcarbamoyl)phenyl]ethyl]cyclohexene-1-carboxylic acid Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)CCC2CCC(=CC2)C(=O)O

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)CCC2CCC(=CC2)C(=O)O

InChI

InChI=1S/C22H31NO3/c1-15(2)23(16(3)4)21(24)19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)22(25)26/h7-8,11-13,15-16,18H,5-6,9-10,14H2,1-4H3,(H,25,26)