N-[[2-(2-methylpropyl)-4-oxidanylidene-3,1-benzoxazin-5-yl]methyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[[2-(2-methylpropyl)-4-oxidanylidene-3,1-benzoxazin-5-yl]methyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(2-isobutyl-4-oxo-3,1-benzoxazin-5-yl)methyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide CAS Name: N-[[2-(2-methylpropyl)-4-oxo-3,1-benzoxazin-5-yl]methyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[2-(2-methylpropyl)-4-oxo-3,1-benzoxazin-5-yl]methyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide Traditional Name: N-[(2-isobutyl-4-keto-3,1-benzoxazin-5-yl)methyl]-1-[(E)-3-phenylacryloyl]pyrrolidine-2-carboxamide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=CC=CC(=C2C(=O)O1)CNC(=O)C3CCCN3C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=NC2=CC=CC(=C2C(=O)O1)CNC(=O)C3CCCN3C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4/c1-18(2)16-23-29-21-11-6-10-20(25(21)27(33)34-23)17-28-26(32)22-12-7-15-30(22)24(31)14-13-19-8-4-3-5-9-19/h3-6,8-11,13-14,18,22H,7,12,15-17H2,1-2H3,(H,28,32)/b14-13+