(4-oxidanylidene-6-propyl-3-pyridin-2-yl-chromen-7-yl) 2-azanyl-4-methyl-pentanoate

Systemtic Name: (4-oxidanylidene-6-propyl-3-pyridin-2-yl-chromen-7-yl) 2-azanyl-4-methyl-pentanoate Openeye Name: [4-oxo-6-propyl-3-(2-pyridyl)chromen-7-yl] 2-amino-4-methyl-pentanoate CAS Name: 2-amino-4-methylpentanoic acid [4-oxo-6-propyl-3-(2-pyridinyl)-1-benzopyran-7-yl] ester IUPAC Name: (4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl) 2-amino-4-methylpentanoate Traditional Name: 2-amino-4-methyl-valeric acid [4-keto-6-propyl-3-(2-pyridyl)chromen-7-yl] ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=CC=N3)OC(=O)C(CC(C)C)N

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=CC=N3)OC(=O)C(CC(C)C)N

InChI

InChI=1S/C23H26N2O4/c1-4-7-15-11-16-21(12-20(15)29-23(27)18(24)10-14(2)3)28-13-17(22(16)26)19-8-5-6-9-25-19/h5-6,8-9,11-14,18H,4,7,10,24H2,1-3H3