(3S)-N-[4-(cyclopropylcarbonylamino)phenyl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-N-[4-(cyclopropylcarbonylamino)phenyl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-[4-(cyclopropanecarbonylamino)phenyl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C21H20N2O4/c1-21(12-14-4-2-3-5-17(14)19(25)27-21)20(26)23-16-10-8-15(9-11-16)22-18(24)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,22,24)(H,23,26)/t21-/m0/s1