1-[6-(ethylamino)pyridin-2-yl]-4-oxidanylidene-5,6,7,7a-tetrahydro-3aH-indole-3-carboxylic acid

Systemtic Name: 1-[6-(ethylamino)pyridin-2-yl]-4-oxidanylidene-5,6,7,7a-tetrahydro-3aH-indole-3-carboxylic acid Openeye Name: 1-[6-(ethylamino)-2-pyridyl]-4-oxo-5,6,7,7a-tetrahydro-3aH-indole-3-carboxylic acid CAS Name: 1-[6-(ethylamino)-2-pyridinyl]-4-oxo-5,6,7,7a-tetrahydro-3aH-indole-3-carboxylic acid IUPAC Name: 1-[6-(ethylamino)pyridin-2-yl]-4-oxo-5,6,7,7a-tetrahydro-3aH-indole-3-carboxylic acid Traditional Name: 1-[6-(ethylamino)-2-pyridyl]-4-keto-5,6,7,7a-tetrahydro-3aH-indole-3-carboxylic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=CC(=N1)N2C=C(C3C2CCCC3=O)C(=O)O

Isomeric SMILES

CCNC1=CC=CC(=N1)N2C=C(C3C2CCCC3=O)C(=O)O

InChI

InChI=1S/C16H19N3O3/c1-2-17-13-7-4-8-14(18-13)19-9-10(16(21)22)15-11(19)5-3-6-12(15)20/h4,7-9,11,15H,2-3,5-6H2,1H3,(H,17,18)(H,21,22)