ethyl 4-azanyl-6-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate

Systemtic Name: ethyl 4-azanyl-6-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate Openeye Name: ethyl 4-amino-6-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate CAS Name: 4-amino-6-[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate Traditional Name: 4-amino-6-[[(E)-3-(4-chlorophenyl)acryloyl]amino]quinoline-3-carboxylic acid ethyl ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N)NC(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClN3O3/c1-2-28-21(27)17-12-24-18-9-8-15(11-16(18)20(17)23)25-19(26)10-5-13-3-6-14(22)7-4-13/h3-12H,2H2,1H3,(H2,23,24)(H,25,26)/b10-5+