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

Systemtic Name: cyclopentyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OC5CCCC5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OC5CCCC5

InChI

InChI=1S/C25H29NO5/c1-14-21(24(28)31-16-6-4-5-7-16)22(15-8-9-19-20(10-15)30-13-29-19)23-17(26-14)11-25(2,3)12-18(23)27/h8-11,16,22-23,26H,4-7,12-13H2,1-3H3