9a,11a-dimethyl-7-oxidanylidene-6-(phenylmethyl)-3a,3b,4,5,5a,8,9,9b,10,11-decahydro-3H-indeno[5,4-f]quinoline-1-carboxylic acid

Systemtic Name: 9a,11a-dimethyl-7-oxidanylidene-6-(phenylmethyl)-3a,3b,4,5,5a,8,9,9b,10,11-decahydro-3H-indeno[5,4-f]quinoline-1-carboxylic acid Openeye Name: 6-benzyl-9a,11a-dimethyl-7-oxo-3a,3b,4,5,5a,8,9,9b,10,11-decahydro-3H-indeno[5,4-f]quinoline-1-carboxylic acid CAS Name: 9a,11a-dimethyl-7-oxo-6-(phenylmethyl)-3a,3b,4,5,5a,8,9,9b,10,11-decahydro-3H-indeno[5,4-f]quinoline-1-carboxylic acid IUPAC Name: 6-benzyl-9a,11a-dimethyl-7-oxo-3a,3b,4,5,5a,8,9,9b,10,11-decahydro-3H-indeno[5,4-f]quinoline-1-carboxylic acid Traditional Name: 6-benzyl-7-keto-9a,11a-dimethyl-3a,3b,4,5,5a,8,9,9b,10,11-decahydro-3H-indeno[5,4-f]quinoline-1-carboxylic acid Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)N(C1CCC3C2CCC4(C3CC=C4C(=O)O)C)CC5=CC=CC=C5

Isomeric SMILES

CC12CCC(=O)N(C1CCC3C2CCC4(C3CC=C4C(=O)O)C)CC5=CC=CC=C5

InChI

InChI=1S/C26H33NO3/c1-25-14-12-20-18(19(25)9-10-21(25)24(29)30)8-11-22-26(20,2)15-13-23(28)27(22)16-17-6-4-3-5-7-17/h3-7,10,18-20,22H,8-9,11-16H2,1-2H3,(H,29,30)