methyl (4aS,12aS)-4a-ethyl-1-oxidanyl-7-(2-oxidanylideneethyl)-2,3,4,12a-tetrahydroindolo[1,2-a][1,8]naphthyridine-6-carboxylate

Systemtic Name: methyl (4aS,12aS)-4a-ethyl-1-oxidanyl-7-(2-oxidanylideneethyl)-2,3,4,12a-tetrahydroindolo[1,2-a][1,8]naphthyridine-6-carboxylate Openeye Name: methyl (4aS,12aS)-4a-ethyl-1-hydroxy-7-(2-oxoethyl)-2,3,4,12a-tetrahydroindolo[1,2-a][1,8]naphthyridine-6-carboxylate CAS Name: (4aS,12aS)-4a-ethyl-1-hydroxy-7-(2-oxoethyl)-2,3,4,12a-tetrahydroindolo[1,2-a][1,8]naphthyridine-6-carboxylic acid methyl ester IUPAC Name: methyl (4aS,12aS)-4a-ethyl-1-hydroxy-7-(2-oxoethyl)-2,3,4,12a-tetrahydroindolo[1,2-a][1,8]naphthyridine-6-carboxylate Traditional Name: (4aS,12aS)-4a-ethyl-1-hydroxy-7-(2-ketoethyl)-2,3,4,12a-tetrahydroindolo[1,2-a][1,8]naphthyridine-6-carboxylic acid methyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCCN(C1N3C4=CC=CC=C4C(=C3C(=C2)C(=O)OC)CC=O)O

Isomeric SMILES

CC[C@@]12CCCN([C@@H]1N3C4=CC=CC=C4C(=C3C(=C2)C(=O)OC)CC=O)O

InChI

InChI=1S/C21H24N2O4/c1-3-21-10-6-11-22(26)20(21)23-17-8-5-4-7-14(17)15(9-12-24)18(23)16(13-21)19(25)27-2/h4-5,7-8,12-13,20,26H,3,6,9-11H2,1-2H3/t20-,21+/m1/s1