N-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-3-phenyl-N-(3-phenylpropanoyl)propanamide

Systemtic Name: N-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-3-phenyl-N-(3-phenylpropanoyl)propanamide Openeye Name: N-(4-chloro-1-oxo-3-propoxy-isochromen-7-yl)-3-phenyl-N-(3-phenylpropanoyl)propanamide CAS Name: N-(4-chloro-1-oxo-3-propoxy-2-benzopyran-7-yl)-N-(1-oxo-3-phenylpropyl)-3-phenylpropanamide IUPAC Name: N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenyl-N-(3-phenylpropanoyl)propanamide Traditional Name: N-(4-chloro-1-keto-3-propoxy-isochromen-7-yl)-N-hydrocinnamoyl-3-phenyl-propionamide Formula: C30H28ClNO5 MolecularWeight: 518.00002

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C(C=C2)N(C(=O)CCC3=CC=CC=C3)C(=O)CCC4=CC=CC=C4)C(=O)O1)Cl

Isomeric SMILES

CCCOC1=C(C2=C(C=C(C=C2)N(C(=O)CCC3=CC=CC=C3)C(=O)CCC4=CC=CC=C4)C(=O)O1)Cl

InChI

InChI=1S/C30H28ClNO5/c1-2-19-36-30-28(31)24-16-15-23(20-25(24)29(35)37-30)32(26(33)17-13-21-9-5-3-6-10-21)27(34)18-14-22-11-7-4-8-12-22/h3-12,15-16,20H,2,13-14,17-19H2,1H3