3-methyl-N-[4-(3-methylbutanoylamino)phenyl]-4-oxidanylidene-2-phenyl-chromene-8-carboxamide

Systemtic Name: 3-methyl-N-[4-(3-methylbutanoylamino)phenyl]-4-oxidanylidene-2-phenyl-chromene-8-carboxamide Openeye Name: 3-methyl-N-[4-(3-methylbutanoylamino)phenyl]-4-oxo-2-phenyl-chromene-8-carboxamide CAS Name: 3-methyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-oxo-2-phenyl-1-benzopyran-8-carboxamide IUPAC Name: 3-methyl-N-[4-(3-methylbutanoylamino)phenyl]-4-oxo-2-phenylchromene-8-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-4-keto-3-methyl-2-phenyl-chromene-8-carboxamide Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O4/c1-17(2)16-24(31)29-20-12-14-21(15-13-20)30-28(33)23-11-7-10-22-25(32)18(3)26(34-27(22)23)19-8-5-4-6-9-19/h4-15,17H,16H2,1-3H3,(H,29,31)(H,30,33)