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

Systemtic Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-4-(3-prop-2-enoxyphenyl)carbonyl-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-(3-allyloxybenzoyl)-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoate CAS Name: 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-[oxo-(3-prop-2-enoxyphenyl)methyl]-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-(3-prop-2-enoxybenzoyl)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[4-(3-allyloxybenzoyl)-2-keto-6-m-anisyloxy-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O7/c1-4-13-35-23-10-6-8-21(15-23)27(32)29-17-24(36-19-20-7-5-9-22(14-20)33-2)16-28(25(30)18-29)12-11-26(31)34-3/h4-10,14-15,24H,1,11-13,16-19H2,2-3H3