5-cyano-8-methyl-1-propyl-2,3,4,4a,9,9a-hexahydrocarbazole-1-carboxylic acid

Systemtic Name: 5-cyano-8-methyl-1-propyl-2,3,4,4a,9,9a-hexahydrocarbazole-1-carboxylic acid Openeye Name: 5-cyano-8-methyl-1-propyl-2,3,4,4a,9,9a-hexahydrocarbazole-1-carboxylic acid CAS Name: 5-cyano-8-methyl-1-propyl-2,3,4,4a,9,9a-hexahydrocarbazole-1-carboxylic acid IUPAC Name: 5-cyano-8-methyl-1-propyl-2,3,4,4a,9,9a-hexahydrocarbazole-1-carboxylic acid Traditional Name: 5-cyano-8-methyl-1-propyl-2,3,4,4a,9,9a-hexahydrocarbazole-1-carboxylic acid Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCC2C1NC3=C(C=CC(=C23)C#N)C)C(=O)O

Isomeric SMILES

CCCC1(CCCC2C1NC3=C(C=CC(=C23)C#N)C)C(=O)O

InChI

InChI=1S/C18H22N2O2/c1-3-8-18(17(21)22)9-4-5-13-14-12(10-19)7-6-11(2)15(14)20-16(13)18/h6-7,13,16,20H,3-5,8-9H2,1-2H3,(H,21,22)