(phenylmethyl) 2-[4-[4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(4-indolin-1-yl-4-oxo-butanoyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[4-(2,3-dihydroindol-1-yl)-1,4-dioxobutyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[4-(2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(4-indolin-1-yl-4-keto-butanoyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC(=O)N2CCC3=CC=CC=C32)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC(=O)N2CCC3=CC=CC=C32)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O4/c30-24(11-12-25(31)29-16-13-22-9-4-5-10-23(22)29)28-15-6-14-27(17-18-28)19-26(32)33-20-21-7-2-1-3-8-21/h1-5,7-10H,6,11-20H2