4-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxidanylidene-propyl]phenoxy]butanoic acid

Systemtic Name: 4-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxidanylidene-propyl]phenoxy]butanoic acid Openeye Name: 4-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxo-propyl]phenoxy]butanoic acid CAS Name: 4-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]butanoic acid IUPAC Name: 4-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]butanoic acid Traditional Name: 4-[4-[3-keto-3-[(4-methylcyclohexyl)amino]propyl]-2-methoxy-phenoxy]butyric acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CCC2=CC(=C(C=C2)OCCCC(=O)O)OC

Isomeric SMILES

CC1CCC(CC1)NC(=O)CCC2=CC(=C(C=C2)OCCCC(=O)O)OC

InChI

InChI=1S/C21H31NO5/c1-15-5-9-17(10-6-15)22-20(23)12-8-16-7-11-18(19(14-16)26-2)27-13-3-4-21(24)25/h7,11,14-15,17H,3-6,8-10,12-13H2,1-2H3,(H,22,23)(H,24,25)