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

Systemtic Name: methyl 3-azanyl-4-oxidanylidene-5-[4-(3-phenylpropoxy)phenyl]carbonyl-chromene-2-carboxylate Openeye Name: methyl 3-amino-4-oxo-5-[4-(3-phenylpropoxy)benzoyl]chromene-2-carboxylate CAS Name: 3-amino-4-oxo-5-[oxo-[4-(3-phenylpropoxy)phenyl]methyl]-1-benzopyran-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-oxo-5-[4-(3-phenylpropoxy)benzoyl]chromene-2-carboxylate Traditional Name: 3-amino-4-keto-5-[4-(3-phenylpropoxy)benzoyl]chromene-2-carboxylic acid methyl ester Formula: C27H23NO6 MolecularWeight: 457.47462

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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)OCCCC4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=C(C(=O)C2=C(C=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCCC4=CC=CC=C4)N

InChI

InChI=1S/C27H23NO6/c1-32-27(31)26-23(28)25(30)22-20(10-5-11-21(22)34-26)24(29)18-12-14-19(15-13-18)33-16-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-15H,6,9,16,28H2,1H3