methyl (E)-3-[3-[[[(E)-2-methyl-4-oxidanylidene-hex-2-enoyl]amino]methyl]quinolin-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[3-[[[(E)-2-methyl-4-oxidanylidene-hex-2-enoyl]amino]methyl]quinolin-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[3-[[[(E)-2-methyl-4-oxo-hex-2-enoyl]amino]methyl]-2-quinolyl]prop-2-enoate CAS Name: (E)-3-[3-[[[(E)-2-methyl-1,4-dioxohex-2-enyl]amino]methyl]-2-quinolinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[[[(E)-2-methyl-4-oxohex-2-enoyl]amino]methyl]quinolin-2-yl]prop-2-enoate Traditional Name: (E)-3-[3-[[[(E)-4-keto-2-methyl-hex-2-enoyl]amino]methyl]-2-quinolyl]acrylic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C=C(C)C(=O)NCC1=CC2=CC=CC=C2N=C1C=CC(=O)OC

Isomeric SMILES

CCC(=O)/C=C(\C)/C(=O)NCC1=CC2=CC=CC=C2N=C1/C=C/C(=O)OC

InChI

InChI=1S/C21H22N2O4/c1-4-17(24)11-14(2)21(26)22-13-16-12-15-7-5-6-8-18(15)23-19(16)9-10-20(25)27-3/h5-12H,4,13H2,1-3H3,(H,22,26)/b10-9+,14-11+