3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-4-(pyridin-3-ylmethylamino)benzoic acid

Systemtic Name: 3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-4-(pyridin-3-ylmethylamino)benzoic acid Openeye Name: 3-[(3-methoxy-3-oxo-propanoyl)amino]-4-(3-pyridylmethylamino)benzoic acid CAS Name: 3-[(3-methoxy-1,3-dioxopropyl)amino]-4-(3-pyridinylmethylamino)benzoic acid IUPAC Name: 3-[(3-methoxy-3-oxopropanoyl)amino]-4-(pyridin-3-ylmethylamino)benzoic acid Traditional Name: 3-[(3-keto-3-methoxy-propanoyl)amino]-4-(3-pyridylmethylamino)benzoic acid Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)NC1=C(C=CC(=C1)C(=O)O)NCC2=CN=CC=C2

Isomeric SMILES

COC(=O)CC(=O)NC1=C(C=CC(=C1)C(=O)O)NCC2=CN=CC=C2

InChI

InChI=1S/C17H17N3O5/c1-25-16(22)8-15(21)20-14-7-12(17(23)24)4-5-13(14)19-10-11-3-2-6-18-9-11/h2-7,9,19H,8,10H2,1H3,(H,20,21)(H,23,24)