3-[[7-[1-(aminocarbonylamino)-4-phenyl-butoxy]-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[7-[1-(aminocarbonylamino)-4-phenyl-butoxy]-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[4-oxo-7-(4-phenyl-1-ureido-butoxy)quinolizine-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[7-[1-(carbamoylamino)-4-phenylbutoxy]-4-oxo-3-quinolizinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[7-[1-(carbamoylamino)-4-phenylbutoxy]-4-oxoquinolizine-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[4-keto-7-(4-phenyl-1-ureido-butoxy)quinolizine-3-carbonyl]amino]-3-phenyl-propionic acid Formula: C30H30N4O6 MolecularWeight: 542.5824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(NC(=O)N)OC2=CN3C(=CC=C(C3=O)C(=O)NC(CC(=O)O)C4=CC=CC=C4)C=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCC(NC(=O)N)OC2=CN3C(=CC=C(C3=O)C(=O)NC(CC(=O)O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C30H30N4O6/c31-30(39)33-26(13-7-10-20-8-3-1-4-9-20)40-23-16-14-22-15-17-24(29(38)34(22)19-23)28(37)32-25(18-27(35)36)21-11-5-2-6-12-21/h1-6,8-9,11-12,14-17,19,25-26H,7,10,13,18H2,(H,32,37)(H,35,36)(H3,31,33,39)