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

Systemtic Name: (phenylmethyl) 4-[[2-(dipropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-6-methyl-quinoline-3-carboxylate Openeye Name: benzyl 4-[[2-(dipropylamino)-2-oxo-ethyl]-methyl-amino]-6-methyl-quinoline-3-carboxylate CAS Name: 4-[[2-(dipropylamino)-2-oxoethyl]-methylamino]-6-methyl-3-quinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[2-(dipropylamino)-2-oxoethyl]-methylamino]-6-methylquinoline-3-carboxylate Traditional Name: 4-[[2-(dipropylamino)-2-keto-ethyl]-methyl-amino]-6-methyl-quinoline-3-carboxylic acid benzyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3/c1-5-14-30(15-6-2)25(31)18-29(4)26-22-16-20(3)12-13-24(22)28-17-23(26)27(32)33-19-21-10-8-7-9-11-21/h7-13,16-17H,5-6,14-15,18-19H2,1-4H3