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

Systemtic Name: ethyl 4-azanyl-6-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]quinoline-3-carboxylate Openeye Name: ethyl 4-amino-6-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]quinoline-3-carboxylate CAS Name: 4-amino-6-[[(E)-3-(4-ethylphenyl)-1-oxoprop-2-enyl]amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]quinoline-3-carboxylate Traditional Name: 4-amino-6-[[(E)-3-(4-ethylphenyl)acryloyl]amino]quinoline-3-carboxylic acid ethyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C(=CN=C3C=C2)C(=O)OCC)N

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)NC2=CC3=C(C(=CN=C3C=C2)C(=O)OCC)N

InChI

InChI=1S/C23H23N3O3/c1-3-15-5-7-16(8-6-15)9-12-21(27)26-17-10-11-20-18(13-17)22(24)19(14-25-20)23(28)29-4-2/h5-14H,3-4H2,1-2H3,(H2,24,25)(H,26,27)/b12-9+