N-[5-azanyl-8-[(4-fluorophenyl)amino]-2,7-dimethyl-8-oxidanylidene-octan-4-yl]-3,5-diethoxy-benzamide

Systemtic Name: N-[5-azanyl-8-[(4-fluorophenyl)amino]-2,7-dimethyl-8-oxidanylidene-octan-4-yl]-3,5-diethoxy-benzamide Openeye Name: N-[2-amino-5-(4-fluoroanilino)-1-isobutyl-4-methyl-5-oxo-pentyl]-3,5-diethoxy-benzamide CAS Name: N-[5-amino-8-(4-fluoroanilino)-2,7-dimethyl-8-oxooctan-4-yl]-3,5-diethoxybenzamide IUPAC Name: N-[5-amino-8-(4-fluoroanilino)-2,7-dimethyl-8-oxooctan-4-yl]-3,5-diethoxybenzamide Traditional Name: N-[2-amino-5-(4-fluoroanilino)-1-isobutyl-5-keto-4-methyl-pentyl]-3,5-diethoxy-benzamide Formula: C27H38FN3O4 MolecularWeight: 487.606723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(CC(C)C)C(CC(C)C(=O)NC2=CC=C(C=C2)F)N)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(CC(C)C)C(CC(C)C(=O)NC2=CC=C(C=C2)F)N)OCC

InChI

InChI=1S/C27H38FN3O4/c1-6-34-22-14-19(15-23(16-22)35-7-2)27(33)31-25(12-17(3)4)24(29)13-18(5)26(32)30-21-10-8-20(28)9-11-21/h8-11,14-18,24-25H,6-7,12-13,29H2,1-5H3,(H,30,32)(H,31,33)