2-(4,4-dimethoxycyclohexa-2,5-dien-1-ylidene)-2-[2-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]ethanoic acid

Systemtic Name: 2-(4,4-dimethoxycyclohexa-2,5-dien-1-ylidene)-2-[2-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]ethanoic acid Openeye Name: 2-(4,4-dimethoxycyclohexa-2,5-dien-1-ylidene)-2-[2-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetic acid CAS Name: 2-(4,4-dimethoxy-1-cyclohexa-2,5-dienylidene)-2-[2-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]acetic acid IUPAC Name: 2-(4,4-dimethoxycyclohexa-2,5-dien-1-ylidene)-2-[2-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetic acid Traditional Name: 2-(4,4-dimethoxycyclohexa-2,5-dien-1-ylidene)-2-[2-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C=CC(=C(C(=O)O)N2CC(C2=O)NC(=O)CC3=CC=CC=C3)C=C1)OC

Isomeric SMILES

COC1(C=CC(=C(C(=O)O)N2CC(C2=O)NC(=O)CC3=CC=CC=C3)C=C1)OC

InChI

InChI=1S/C21H22N2O6/c1-28-21(29-2)10-8-15(9-11-21)18(20(26)27)23-13-16(19(23)25)22-17(24)12-14-6-4-3-5-7-14/h3-11,16H,12-13H2,1-2H3,(H,22,24)(H,26,27)