3-[[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[7-[3-(tert-butoxycarbonylamino)propoxy]-4-oxo-quinolizine-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[7-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propoxy]-4-oxo-3-quinolizinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-4-oxoquinolizine-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[7-[3-(tert-butoxycarbonylamino)propoxy]-4-keto-quinolizine-3-carbonyl]amino]-3-phenyl-propionic acid Formula: C27H31N3O7 MolecularWeight: 509.55094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCOC1=CN2C(=CC=C(C2=O)C(=O)NC(CC(=O)O)C3=CC=CC=C3)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCOC1=CN2C(=CC=C(C2=O)C(=O)NC(CC(=O)O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C27H31N3O7/c1-27(2,3)37-26(35)28-14-7-15-36-20-12-10-19-11-13-21(25(34)30(19)17-20)24(33)29-22(16-23(31)32)18-8-5-4-6-9-18/h4-6,8-13,17,22H,7,14-16H2,1-3H3,(H,28,35)(H,29,33)(H,31,32)