(phenylmethyl) 4-(5-phenyl-1H-imidazol-2-yl)-2-(thiophen-3-ylmethylamino)butanoate

Systemtic Name: (phenylmethyl) 4-(5-phenyl-1H-imidazol-2-yl)-2-(thiophen-3-ylmethylamino)butanoate Openeye Name: benzyl 4-(5-phenyl-1H-imidazol-2-yl)-2-(3-thienylmethylamino)butanoate CAS Name: 4-(5-phenyl-1H-imidazol-2-yl)-2-(3-thiophenylmethylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(5-phenyl-1H-imidazol-2-yl)-2-(thiophen-3-ylmethylamino)butanoate Traditional Name: 4-(5-phenyl-1H-imidazol-2-yl)-2-(3-thenylamino)butyric acid benzyl ester Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCC2=NC=C(N2)C3=CC=CC=C3)NCC4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCC2=NC=C(N2)C3=CC=CC=C3)NCC4=CSC=C4

InChI

InChI=1S/C25H25N3O2S/c29-25(30-17-19-7-3-1-4-8-19)22(26-15-20-13-14-31-18-20)11-12-24-27-16-23(28-24)21-9-5-2-6-10-21/h1-10,13-14,16,18,22,26H,11-12,15,17H2,(H,27,28)