2-chloranyl-4-[[4-(2-methylbutan-2-yloxy)-3,4-bis(oxidanylidene)butanoyl]-(naphthalen-2-ylmethyl)amino]benzoic acid

Systemtic Name: 2-chloranyl-4-[[4-(2-methylbutan-2-yloxy)-3,4-bis(oxidanylidene)butanoyl]-(naphthalen-2-ylmethyl)amino]benzoic acid Openeye Name: 2-chloro-4-[[4-(1,1-dimethylpropoxy)-3,4-dioxo-butanoyl]-(2-naphthylmethyl)amino]benzoic acid CAS Name: 2-chloro-4-[[4-(2-methylbutan-2-yloxy)-1,3,4-trioxobutyl]-(2-naphthalenylmethyl)amino]benzoic acid IUPAC Name: 2-chloro-4-[[4-(2-methylbutan-2-yloxy)-3,4-dioxobutanoyl]-(naphthalen-2-ylmethyl)amino]benzoic acid Traditional Name: 4-[(4-tert-amyloxy-3,4-diketo-butanoyl)-(2-naphthylmethyl)amino]-2-chloro-benzoic acid Formula: C27H26ClNO6 MolecularWeight: 495.95144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC2=CC=CC=C2C=C1)C3=CC(=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CCC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC2=CC=CC=C2C=C1)C3=CC(=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C27H26ClNO6/c1-4-27(2,3)35-26(34)23(30)15-24(31)29(20-11-12-21(25(32)33)22(28)14-20)16-17-9-10-18-7-5-6-8-19(18)13-17/h5-14H,4,15-16H2,1-3H3,(H,32,33)