4-oxidanylidene-4-[(4-phenoxyphenyl)amino]-2-(pyridin-3-ylmethylamino)butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(4-phenoxyphenyl)amino]-2-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: 4-oxo-4-(4-phenoxyanilino)-2-(3-pyridylmethylamino)butanoic acid CAS Name: 4-oxo-4-(4-phenoxyanilino)-2-(3-pyridinylmethylamino)butanoic acid IUPAC Name: 4-oxo-4-(4-phenoxyanilino)-2-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: 4-keto-4-(4-phenoxyanilino)-2-(3-pyridylmethylamino)butyric acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CC(C(=O)O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CC(C(=O)O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H21N3O4/c26-21(13-20(22(27)28)24-15-16-5-4-12-23-14-16)25-17-8-10-19(11-9-17)29-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15H2,(H,25,26)(H,27,28)