methyl (E)-3-[3-[[[(E)-2-methylhex-2-enoyl]amino]methyl]quinolin-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[3-[[[(E)-2-methylhex-2-enoyl]amino]methyl]quinolin-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[3-[[[(E)-2-methylhex-2-enoyl]amino]methyl]-2-quinolyl]prop-2-enoate CAS Name: (E)-3-[3-[[[(E)-2-methyl-1-oxohex-2-enyl]amino]methyl]-2-quinolinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[[[(E)-2-methylhex-2-enoyl]amino]methyl]quinolin-2-yl]prop-2-enoate Traditional Name: (E)-3-[3-[[[(E)-2-methylhex-2-enoyl]amino]methyl]-2-quinolyl]acrylic acid methyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c1-4-5-8-15(2)21(25)22-14-17-13-16-9-6-7-10-18(16)23-19(17)11-12-20(24)26-3/h6-13H,4-5,14H2,1-3H3,(H,22,25)/b12-11+,15-8+