3-[[4-oxidanylidene-7-[3-[(phenylmethyl)carbamoylamino]propoxy]quinolizin-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[4-oxidanylidene-7-[3-[(phenylmethyl)carbamoylamino]propoxy]quinolizin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[7-[3-(benzylcarbamoylamino)propoxy]-4-oxo-quinolizine-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[oxo-[4-oxo-7-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]propoxy]-3-quinolizinyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[7-[3-(benzylcarbamoylamino)propoxy]-4-oxoquinolizine-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[7-[3-(benzylcarbamoylamino)propoxy]-4-keto-quinolizine-3-carbonyl]amino]-3-phenyl-propionic acid Formula: C30H30N4O6 MolecularWeight: 542.5824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NCCCOC2=CN3C(=CC=C(C3=O)C(=O)NC(CC(=O)O)C4=CC=CC=C4)C=C2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NCCCOC2=CN3C(=CC=C(C3=O)C(=O)NC(CC(=O)O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C30H30N4O6/c35-27(36)18-26(22-10-5-2-6-11-22)33-28(37)25-15-13-23-12-14-24(20-34(23)29(25)38)40-17-7-16-31-30(39)32-19-21-8-3-1-4-9-21/h1-6,8-15,20,26H,7,16-19H2,(H,33,37)(H,35,36)(H2,31,32,39)