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

Systemtic Name: ethyl 3-azanyl-4-oxidanylidene-5-[4-(4-phenylbutoxy)phenyl]carbonyl-chromene-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H27NO6 MolecularWeight: 485.52778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C29H27NO6/c1-2-34-29(33)28-25(30)27(32)24-22(12-8-13-23(24)36-28)26(31)20-14-16-21(17-15-20)35-18-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,12-17H,2,6-7,11,18,30H2,1H3