methyl 4-[3-chloranyl-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxylate

Systemtic Name: methyl 4-[3-chloranyl-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxylate Openeye Name: methyl 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxylate CAS Name: 4-[3-chloro-4-[[(cyclopropylamino)-oxomethyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylate Traditional Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxylic acid methyl ester Formula: C22H20ClN3O5 MolecularWeight: 441.8643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC=CC(=C2C=C1C(=O)OC)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl

Isomeric SMILES

COC1=CC2=NC=CC(=C2C=C1C(=O)OC)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl

InChI

InChI=1S/C22H20ClN3O5/c1-29-20-11-18-14(10-15(20)21(27)30-2)19(7-8-24-18)31-13-5-6-17(16(23)9-13)26-22(28)25-12-3-4-12/h5-12H,3-4H2,1-2H3,(H2,25,26,28)