(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide CAS Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Traditional Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C[C@H](CC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N2O4/c1-14(15-5-3-2-4-6-15)23-13-16(11-20(23)24)21(25)22-17-7-8-18-19(12-17)27-10-9-26-18/h2-8,12,14,16H,9-11,13H2,1H3,(H,22,25)/t14-,16+/m1/s1