methyl 4-[(6-azanyl-2-phenyl-hex-4-ynoyl)amino]-5,7-bis(chloranyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate

Systemtic Name: methyl 4-[(6-azanyl-2-phenyl-hex-4-ynoyl)amino]-5,7-bis(chloranyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate Openeye Name: methyl 4-[(6-amino-2-phenyl-hex-4-ynoyl)amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylate CAS Name: 4-[(6-amino-1-oxo-2-phenylhex-4-ynyl)amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[(6-amino-2-phenylhex-4-ynoyl)amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylate Traditional Name: 4-[(6-amino-2-phenyl-hex-4-ynoyl)amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid methyl ester Formula: C23H23Cl2N3O3 MolecularWeight: 460.35302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C2=C(C=C(C=C2N1)Cl)Cl)NC(=O)C(CC#CCN)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC(C2=C(C=C(C=C2N1)Cl)Cl)NC(=O)C(CC#CCN)C3=CC=CC=C3

InChI

InChI=1S/C23H23Cl2N3O3/c1-31-23(30)20-13-19(21-17(25)11-15(24)12-18(21)27-20)28-22(29)16(9-5-6-10-26)14-7-3-2-4-8-14/h2-4,7-8,11-12,16,19-20,27H,9-10,13,26H2,1H3,(H,28,29)