3-[[3-(3-methoxy-3-oxidanylidene-propyl)-2-(4-methylphenyl)carbonyl-1-benzofuran-6-yl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[3-(3-methoxy-3-oxidanylidene-propyl)-2-(4-methylphenyl)carbonyl-1-benzofuran-6-yl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[3-(3-methoxy-3-oxo-propyl)-2-(4-methylbenzoyl)benzofuran-6-yl]amino]-3-oxo-propanoic acid CAS Name: 3-[[3-(3-methoxy-3-oxopropyl)-2-[(4-methylphenyl)-oxomethyl]-6-benzofuranyl]amino]-3-oxopropanoic acid IUPAC Name: 3-[[3-(3-methoxy-3-oxopropyl)-2-(4-methylbenzoyl)-1-benzofuran-6-yl]amino]-3-oxopropanoic acid Traditional Name: 3-keto-3-[[3-(3-keto-3-methoxy-propyl)-2-p-toluoyl-benzofuran-6-yl]amino]propionic acid Formula: C23H21NO7 MolecularWeight: 423.41534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=C(C=C3)NC(=O)CC(=O)O)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=C(C=C3)NC(=O)CC(=O)O)CCC(=O)OC

InChI

InChI=1S/C23H21NO7/c1-13-3-5-14(6-4-13)22(29)23-17(9-10-21(28)30-2)16-8-7-15(11-18(16)31-23)24-19(25)12-20(26)27/h3-8,11H,9-10,12H2,1-2H3,(H,24,25)(H,26,27)