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

Systemtic Name: methyl 3-[4-isoquinolin-3-ylcarbonyl-6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-(isoquinoline-3-carbonyl)-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-[3-isoquinolinyl(oxo)methyl]-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(isoquinoline-3-carbonyl)-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[4-(isoquinoline-3-carbonyl)-2-keto-6-m-anisyloxy-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C27H29N3O6 MolecularWeight: 491.53566

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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=CC4=CC=CC=C4C=N3

Isomeric SMILES

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC(=O)OC)C(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C27H29N3O6/c1-34-22-9-5-6-19(12-22)18-36-23-15-29(11-10-26(32)35-2)25(31)17-30(16-23)27(33)24-13-20-7-3-4-8-21(20)14-28-24/h3-9,12-14,23H,10-11,15-18H2,1-2H3