7-[2-methyl-1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]propan-2-yl]oxy-7-oxidanylidene-2-propan-2-yl-heptanoic acid

Systemtic Name: 7-[2-methyl-1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]propan-2-yl]oxy-7-oxidanylidene-2-propan-2-yl-heptanoic acid Openeye Name: 7-[2-[4-(benzyloxycarbonylaminomethyl)phenyl]-1,1-dimethyl-ethoxy]-2-isopropyl-7-oxo-heptanoic acid CAS Name: 7-[2-methyl-1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]propan-2-yl]oxy-7-oxo-2-propan-2-ylheptanoic acid IUPAC Name: 7-[2-methyl-1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]propan-2-yl]oxy-7-oxo-2-propan-2-ylheptanoic acid Traditional Name: 7-[2-[4-(benzyloxycarbonylaminomethyl)phenyl]-1,1-dimethyl-ethoxy]-2-isopropyl-7-keto-enanthic acid Formula: C29H39NO6 MolecularWeight: 497.62306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCCC(=O)OC(C)(C)CC1=CC=C(C=C1)CNC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C(CCCCC(=O)OC(C)(C)CC1=CC=C(C=C1)CNC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C29H39NO6/c1-21(2)25(27(32)33)12-8-9-13-26(31)36-29(3,4)18-22-14-16-23(17-15-22)19-30-28(34)35-20-24-10-6-5-7-11-24/h5-7,10-11,14-17,21,25H,8-9,12-13,18-20H2,1-4H3,(H,30,34)(H,32,33)