3-[3-azanyl-2-oxidanylidene-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-5-methyl-hexanoic acid

Systemtic Name: 3-[3-azanyl-2-oxidanylidene-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-5-methyl-hexanoic acid Openeye Name: 3-[3-amino-2-oxo-3-[4-(4-quinolylmethoxy)phenyl]pyrrolidin-1-yl]-5-methyl-hexanoic acid CAS Name: 3-[3-amino-2-oxo-3-[4-(4-quinolinylmethoxy)phenyl]-1-pyrrolidinyl]-5-methylhexanoic acid IUPAC Name: 3-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-5-methylhexanoic acid Traditional Name: 3-[3-amino-2-keto-3-[4-(4-quinolylmethoxy)phenyl]pyrrolidino]-5-methyl-hexanoic acid Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)N1CCC(C1=O)(C2=CC=C(C=C2)OCC3=CC=NC4=CC=CC=C34)N

Isomeric SMILES

CC(C)CC(CC(=O)O)N1CCC(C1=O)(C2=CC=C(C=C2)OCC3=CC=NC4=CC=CC=C34)N

InChI

InChI=1S/C27H31N3O4/c1-18(2)15-21(16-25(31)32)30-14-12-27(28,26(30)33)20-7-9-22(10-8-20)34-17-19-11-13-29-24-6-4-3-5-23(19)24/h3-11,13,18,21H,12,14-17,28H2,1-2H3,(H,31,32)