dodecyl 4-chloranyl-3-[[8-(methylamino)-1-oxidanyl-naphthalen-2-yl]carbonylamino]benzoate

Systemtic Name: dodecyl 4-chloranyl-3-[[8-(methylamino)-1-oxidanyl-naphthalen-2-yl]carbonylamino]benzoate Openeye Name: dodecyl 4-chloro-3-[[1-hydroxy-8-(methylamino)naphthalene-2-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-hydroxy-8-(methylamino)-2-naphthalenyl]-oxomethyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[1-hydroxy-8-(methylamino)naphthalene-2-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-hydroxy-8-(methylamino)-2-naphthoyl]amino]benzoic acid lauryl ester Formula: C31H39ClN2O4 MolecularWeight: 539.10536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=C(C3=C(C=CC=C3NC)C=C2)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=C(C3=C(C=CC=C3NC)C=C2)O

InChI

InChI=1S/C31H39ClN2O4/c1-3-4-5-6-7-8-9-10-11-12-20-38-31(37)23-17-19-25(32)27(21-23)34-30(36)24-18-16-22-14-13-15-26(33-2)28(22)29(24)35/h13-19,21,33,35H,3-12,20H2,1-2H3,(H,34,36)