(phenylmethyl) 6-chloranyl-4-[[2-(dipropylamino)-2-oxidanylidene-ethyl]-methyl-amino]quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 6-chloranyl-4-[[2-(dipropylamino)-2-oxidanylidene-ethyl]-methyl-amino]quinoline-3-carboxylate Openeye Name: benzyl 6-chloro-4-[[2-(dipropylamino)-2-oxo-ethyl]-methyl-amino]quinoline-3-carboxylate CAS Name: 6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]-methylamino]-3-quinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]-methylamino]quinoline-3-carboxylate Traditional Name: 6-chloro-4-[[2-(dipropylamino)-2-keto-ethyl]-methyl-amino]quinoline-3-carboxylic acid benzyl ester Formula: C26H30ClN3O3 MolecularWeight: 467.9877

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CN(C)C1=C2C=C(C=CC2=NC=C1C(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CCCN(CCC)C(=O)CN(C)C1=C2C=C(C=CC2=NC=C1C(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C26H30ClN3O3/c1-4-13-30(14-5-2)24(31)17-29(3)25-21-15-20(27)11-12-23(21)28-16-22(25)26(32)33-18-19-9-7-6-8-10-19/h6-12,15-16H,4-5,13-14,17-18H2,1-3H3