4-[4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carboxylic acid Openeye Name: 4-[4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carboxylic acid CAS Name: 4-[4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carboxylic acid Traditional Name: 4-[1-keto-4-(7-methoxy-2,2-dimethyl-coumaran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carboxylic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)C5CCN(CC5)C(=O)O)C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)C5CCN(CC5)C(=O)O)C

InChI

InChI=1S/C25H31N3O5/c1-25(2)14-19-17(8-9-20(32-3)22(19)33-25)21-16-6-4-5-7-18(16)23(29)28(26-21)15-10-12-27(13-11-15)24(30)31/h4-5,8-9,15-16,18H,6-7,10-14H2,1-3H3,(H,30,31)