1-[3,3-dimethyl-4-oxidanylidene-2-(pyridin-2-ylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-[3,3-dimethyl-4-oxidanylidene-2-(pyridin-2-ylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-[3,3-dimethyl-4-oxo-2-(2-pyridylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-[3,3-dimethyl-1,4-dioxo-2-(2-pyridinylamino)butyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-[3,3-dimethyl-4-oxo-2-(pyridin-2-ylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-[4-keto-3,3-dimethyl-2-(2-pyridylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=O)C(C(=O)C1C2=CC=CC=C2CC(N1)C(=O)O)NC3=CC=CC=N3

Isomeric SMILES

CC(C)(C=O)C(C(=O)C1C2=CC=CC=C2CC(N1)C(=O)O)NC3=CC=CC=N3

InChI

InChI=1S/C21H23N3O4/c1-21(2,12-25)19(24-16-9-5-6-10-22-16)18(26)17-14-8-4-3-7-13(14)11-15(23-17)20(27)28/h3-10,12,15,17,19,23H,11H2,1-2H3,(H,22,24)(H,27,28)