5-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)carbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 5-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)carbamoyl]pyridine-2-carboxylic acid Openeye Name: 5-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)carbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)amino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)carbamoyl]pyridine-2-carboxylic acid Traditional Name: 5-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)carbamoyl]picolinic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC3=CC(=CC(=C31)CCC2)NC(=O)C4=CN=C(C=C4)C(=O)O

Isomeric SMILES

CC12CCCC3=CC(=CC(=C31)CCC2)NC(=O)C4=CN=C(C=C4)C(=O)O

InChI

InChI=1S/C21H22N2O3/c1-21-8-2-4-13-10-16(11-14(18(13)21)5-3-9-21)23-19(24)15-6-7-17(20(25)26)22-12-15/h6-7,10-12H,2-5,8-9H2,1H3,(H,23,24)(H,25,26)