(phenylmethyl) 2-azanyl-7-[[3-(4-methoxyphenyl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-7-oxidanylidene-heptanoate

Systemtic Name: (phenylmethyl) 2-azanyl-7-[[3-(4-methoxyphenyl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-7-oxidanylidene-heptanoate Openeye Name: benzyl 2-amino-7-[[2-benzyloxy-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]amino]-7-oxo-heptanoate CAS Name: 2-amino-7-[[3-(4-methoxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-7-oxoheptanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-7-[[3-(4-methoxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-7-oxoheptanoate Traditional Name: 2-amino-7-[(2-benzoxy-2-keto-1-p-anisyl-ethyl)amino]-7-keto-enanthic acid benzyl ester Formula: C31H36N2O6 MolecularWeight: 532.62734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)CCCCC(C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)CCCCC(C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C31H36N2O6/c1-37-26-18-16-23(17-19-26)20-28(31(36)39-22-25-12-6-3-7-13-25)33-29(34)15-9-8-14-27(32)30(35)38-21-24-10-4-2-5-11-24/h2-7,10-13,16-19,27-28H,8-9,14-15,20-22,32H2,1H3,(H,33,34)