methyl 4-[[3-(butylamino)-4,8-bis(oxidanylidene)naphthalen-1-yl]amino]benzoate

Systemtic Name: methyl 4-[[3-(butylamino)-4,8-bis(oxidanylidene)naphthalen-1-yl]amino]benzoate Openeye Name: methyl 4-[[3-(butylamino)-4,8-dioxo-1-naphthyl]amino]benzoate CAS Name: 4-[[3-(butylamino)-4,8-dioxo-1-naphthalenyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(butylamino)-4,8-dioxonaphthalen-1-yl]amino]benzoate Traditional Name: 4-[[3-(butylamino)-4,8-diketo-1-naphthyl]amino]benzoic acid methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=C2C(=O)C=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCNC1=CC(=C2C(=O)C=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O4/c1-3-4-12-23-18-13-17(20-16(21(18)26)6-5-7-19(20)25)24-15-10-8-14(9-11-15)22(27)28-2/h5-11,13,23-24H,3-4,12H2,1-2H3