4-[[3-(2-dimethylaminoethylamino)-4-methyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[3-(2-dimethylaminoethylamino)-4-methyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[3-(2-dimethylaminoethylamino)-4-methyl-quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[[3-(2-dimethylaminoethylamino)-4-methyl-2-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[[3-(2-dimethylaminoethylamino)-4-methylquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[3-(2-dimethylaminoethylamino)-4-methyl-quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C27H38N6O6 MolecularWeight: 542.62722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2NCCN(C)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2NCCN(C)C)C

InChI

InChI=1S/C27H38N6O6/c1-5-39-27(38)33-16-14-32(15-17-33)26(37)21(10-11-22(34)35)30-25(36)24-23(28-12-13-31(3)4)18(2)19-8-6-7-9-20(19)29-24/h6-9,21,28H,5,10-17H2,1-4H3,(H,30,36)(H,34,35)