(phenylmethyl) 2,7,7-trimethyl-5-oxidanylidene-4-pyridin-3-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 2,7,7-trimethyl-5-oxidanylidene-4-pyridin-3-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl 2,7,7-trimethyl-5-oxo-4-(3-pyridyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-(3-pyridinyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,7,7-trimethyl-5-oxo-4-pyridin-3-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(3-pyridyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CN=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CN=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3/c1-16-21(24(29)30-15-17-8-5-4-6-9-17)22(18-10-7-11-26-14-18)23-19(27-16)12-25(2,3)13-20(23)28/h4-12,14,22-23,27H,13,15H2,1-3H3