4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]carbonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-butanoic acid

Systemtic Name: 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]carbonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-butanoic acid Openeye Name: 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-2-carbonyl]amino]-2-(4-ethoxycarbonylpiperazine-1-carbonyl)butanoic acid CAS Name: 4-[[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolinyl]-oxomethyl]amino]-2-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]butanoic acid IUPAC Name: 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-2-carbonyl]amino]-2-(4-ethoxycarbonylpiperazine-1-carbonyl)butanoic acid Traditional Name: 2-(4-carbethoxypiperazine-1-carbonyl)-4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-2-carbonyl]amino]butyric acid Formula: C31H35N5O6 MolecularWeight: 573.6395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=CC=CC=C3C(=C2)N4CCC5=CC=CC=C5C4)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=CC=CC=C3C(=C2)N4CCC5=CC=CC=C5C4)C(=O)O

InChI

InChI=1S/C31H35N5O6/c1-2-42-31(41)35-17-15-34(16-18-35)29(38)24(30(39)40)11-13-32-28(37)26-19-27(23-9-5-6-10-25(23)33-26)36-14-12-21-7-3-4-8-22(21)20-36/h3-10,19,24H,2,11-18,20H2,1H3,(H,32,37)(H,39,40)