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

Systemtic Name: methyl 5-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)carbamoyl]pyridine-2-carboxylate Openeye Name: methyl 5-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)carbamoyl]pyridine-2-carboxylate CAS Name: 5-[[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)amino]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)carbamoyl]pyridine-2-carboxylate Traditional Name: 5-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)carbamoyl]picolinic acid methyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-22-9-3-5-14-11-17(12-15(19(14)22)6-4-10-22)24-20(25)16-7-8-18(23-13-16)21(26)27-2/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,24,25)