2-[3-(1H-imidazol-5-yl)propanoylamino]-2-methyl-3-[3-methylbutyl-(4-phenylmethoxyphenyl)amino]propanamide

Systemtic Name: 2-[3-(1H-imidazol-5-yl)propanoylamino]-2-methyl-3-[3-methylbutyl-(4-phenylmethoxyphenyl)amino]propanamide Openeye Name: 3-(4-benzyloxy-N-isopentyl-anilino)-2-[3-(1H-imidazol-5-yl)propanoylamino]-2-methyl-propanamide CAS Name: 2-[[3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-2-methyl-3-[N-(3-methylbutyl)-4-phenylmethoxyanilino]propanamide IUPAC Name: 2-[3-(1H-imidazol-5-yl)propanoylamino]-2-methyl-3-[N-(3-methylbutyl)-4-phenylmethoxyanilino]propanamide Traditional Name: 3-(4-benzoxy-N-isoamyl-anilino)-2-[3-(1H-imidazol-5-yl)propanoylamino]-2-methyl-propionamide Formula: C28H37N5O3 MolecularWeight: 491.62508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(C)(C(=O)N)NC(=O)CCC1=CN=CN1)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN(CC(C)(C(=O)N)NC(=O)CCC1=CN=CN1)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H37N5O3/c1-21(2)15-16-33(24-10-12-25(13-11-24)36-18-22-7-5-4-6-8-22)19-28(3,27(29)35)32-26(34)14-9-23-17-30-20-31-23/h4-8,10-13,17,20-21H,9,14-16,18-19H2,1-3H3,(H2,29,35)(H,30,31)(H,32,34)