2-[2-[(4-aminocarbonylphenyl)methyl-cyclopropyl-amino]ethanoylamino]-N-(1,3-benzodioxol-5-yl)benzamide

Systemtic Name: 2-[2-[(4-aminocarbonylphenyl)methyl-cyclopropyl-amino]ethanoylamino]-N-(1,3-benzodioxol-5-yl)benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(4-carbamoylphenyl)methyl-cyclopropyl-amino]acetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]-1-oxoethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(4-carbamoylbenzyl)-cyclopropyl-amino]acetyl]amino]benzamide Formula: C27H26N4O5 MolecularWeight: 486.51914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=C(C=C2)C(=O)N)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1N(CC2=CC=C(C=C2)C(=O)N)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H26N4O5/c28-26(33)18-7-5-17(6-8-18)14-31(20-10-11-20)15-25(32)30-22-4-2-1-3-21(22)27(34)29-19-9-12-23-24(13-19)36-16-35-23/h1-9,12-13,20H,10-11,14-16H2,(H2,28,33)(H,29,34)(H,30,32)