4-[(2-aminocarbonyl-5-ethyl-phenoxy)methyl]-1-(2-azanylethanoyl)-N-[(2-bromophenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 4-[(2-aminocarbonyl-5-ethyl-phenoxy)methyl]-1-(2-azanylethanoyl)-N-[(2-bromophenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2-aminoacetyl)-N-[(2-bromophenyl)methyl]-4-[(2-carbamoyl-5-ethyl-phenoxy)methyl]piperidine-4-carboxamide CAS Name: 1-(2-amino-1-oxoethyl)-N-[(2-bromophenyl)methyl]-4-[(2-carbamoyl-5-ethylphenoxy)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-aminoacetyl)-N-[(2-bromophenyl)methyl]-4-[(2-carbamoyl-5-ethylphenoxy)methyl]piperidine-4-carboxamide Traditional Name: N-(2-bromobenzyl)-4-[(2-carbamoyl-5-ethyl-phenoxy)methyl]-1-glycyl-isonipecotamide Formula: C25H31BrN4O4 MolecularWeight: 531.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C(=O)N)OCC2(CCN(CC2)C(=O)CN)C(=O)NCC3=CC=CC=C3Br

Isomeric SMILES

CCC1=CC(=C(C=C1)C(=O)N)OCC2(CCN(CC2)C(=O)CN)C(=O)NCC3=CC=CC=C3Br

InChI

InChI=1S/C25H31BrN4O4/c1-2-17-7-8-19(23(28)32)21(13-17)34-16-25(9-11-30(12-10-25)22(31)14-27)24(33)29-15-18-5-3-4-6-20(18)26/h3-8,13H,2,9-12,14-16,27H2,1H3,(H2,28,32)(H,29,33)