2-[[3,4-bis(oxidanylidene)-2-propan-2-yloxy-cyclobuten-1-yl]amino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[3,4-bis(oxidanylidene)-2-propan-2-yloxy-cyclobuten-1-yl]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[(2-isopropoxy-3,4-dioxo-cyclobuten-1-yl)amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[(3,4-dioxo-2-propan-2-yloxy-1-cyclobutenyl)amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[(2-isopropoxy-3,4-diketo-cyclobuten-1-yl)amino]-3-(4-phenylphenyl)propionic acid Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C1=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)OC1=C(C(=O)C1=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21NO5/c1-13(2)28-21-18(19(24)20(21)25)23-17(22(26)27)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17,23H,12H2,1-2H3,(H,26,27)