methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-4-(4-phenylbutanoyl)-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-4-(4-phenylbutanoyl)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-(4-phenylbutanoyl)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-(1-oxo-4-phenylbutyl)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-(4-phenylbutanoyl)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-6-m-anisyloxy-4-(4-phenylbutanoyl)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC(=O)OC)C(=O)CCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC(=O)OC)C(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O6/c1-33-23-12-6-11-22(16-23)20-35-24-17-28(15-14-27(32)34-2)26(31)19-29(18-24)25(30)13-7-10-21-8-4-3-5-9-21/h3-6,8-9,11-12,16,24H,7,10,13-15,17-20H2,1-2H3