3-(3-cyclopentyloxy-4-methoxy-phenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 4-(tert-butoxycarbonylamino)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]butanoic acid CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 4-(tert-butoxycarbonylamino)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]butyric acid Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(CC(=O)O)C1=CC(=C(C=C1)OC)OC2CCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NCC(CC(=O)O)C1=CC(=C(C=C1)OC)OC2CCCC2

InChI

InChI=1S/C21H31NO6/c1-21(2,3)28-20(25)22-13-15(12-19(23)24)14-9-10-17(26-4)18(11-14)27-16-7-5-6-8-16/h9-11,15-16H,5-8,12-13H2,1-4H3,(H,22,25)(H,23,24)