methyl 4-[[1,4-bis(oxidanylidene)-3-[(phenylmethyl)amino]naphthalen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[1,4-bis(oxidanylidene)-3-[(phenylmethyl)amino]naphthalen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[3-(benzylamino)-1,4-dioxo-2-naphthyl]amino]-4-oxo-butanoate CAS Name: 4-[[1,4-dioxo-3-[(phenylmethyl)amino]-2-naphthalenyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[3-(benzylamino)-1,4-dioxonaphthalen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3-(benzylamino)-1,4-diketo-2-naphthyl]amino]-4-keto-butyric acid methyl ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O5/c1-29-18(26)12-11-17(25)24-20-19(23-13-14-7-3-2-4-8-14)21(27)15-9-5-6-10-16(15)22(20)28/h2-10,23H,11-13H2,1H3,(H,24,25)