methyl 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-5H-1,5-benzodiazepin-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-5H-1,5-benzodiazepin-4-yl]ethanoate Openeye Name: methyl 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]-2-oxo-5H-1,5-benzodiazepin-4-yl]acetate CAS Name: 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-5H-1,5-benzodiazepin-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-5H-1,5-benzodiazepin-4-yl]acetate Traditional Name: 2-[2-keto-1-[2-keto-2-(p-anisylamino)ethyl]-5H-1,5-benzodiazepin-4-yl]acetic acid methyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3NC(=CC2=O)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3NC(=CC2=O)CC(=O)OC

InChI

InChI=1S/C22H23N3O5/c1-29-17-9-7-15(8-10-17)13-23-20(26)14-25-19-6-4-3-5-18(19)24-16(11-21(25)27)12-22(28)30-2/h3-11,24H,12-14H2,1-2H3,(H,23,26)