methyl 3-azanyl-4-oxidanylidene-5-[4-(4-phenylbutoxy)phenyl]carbonyl-chromene-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-oxidanylidene-5-[4-(4-phenylbutoxy)phenyl]carbonyl-chromene-2-carboxylate Openeye Name: methyl 3-amino-4-oxo-5-[4-(4-phenylbutoxy)benzoyl]chromene-2-carboxylate CAS Name: 3-amino-4-oxo-5-[oxo-[4-(4-phenylbutoxy)phenyl]methyl]-1-benzopyran-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-oxo-5-[4-(4-phenylbutoxy)benzoyl]chromene-2-carboxylate Traditional Name: 3-amino-4-keto-5-[4-(4-phenylbutoxy)benzoyl]chromene-2-carboxylic acid methyl ester Formula: C28H25NO6 MolecularWeight: 471.5012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=O)C2=C(C=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=C(C(=O)C2=C(C=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)N

InChI

InChI=1S/C28H25NO6/c1-33-28(32)27-24(29)26(31)23-21(11-7-12-22(23)35-27)25(30)19-13-15-20(16-14-19)34-17-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,11-16H,5-6,10,17,29H2,1H3