methyl 5-[[5-[(aminocarbonylamino)-naphthalen-1-yl-methyl]-2-butyl-4-chloranyl-imidazol-1-yl]methyl]-2-phenyl-benzoate

Systemtic Name: methyl 5-[[5-[(aminocarbonylamino)-naphthalen-1-yl-methyl]-2-butyl-4-chloranyl-imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: methyl 5-[[2-butyl-4-chloro-5-[1-naphthyl(ureido)methyl]imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[2-butyl-5-[(carbamoylamino)-(1-naphthalenyl)methyl]-4-chloro-1-imidazolyl]methyl]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 5-[[2-butyl-5-[(carbamoylamino)-naphthalen-1-ylmethyl]-4-chloroimidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[[2-butyl-4-chloro-5-[1-naphthyl(ureido)methyl]imidazol-1-yl]methyl]-2-phenyl-benzoic acid methyl ester Formula: C34H33ClN4O3 MolecularWeight: 581.10382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC)C(C4=CC=CC5=CC=CC=C54)NC(=O)N)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC)C(C4=CC=CC5=CC=CC=C54)NC(=O)N)Cl

InChI

InChI=1S/C34H33ClN4O3/c1-3-4-17-29-37-32(35)31(30(38-34(36)41)27-16-10-14-24-13-8-9-15-25(24)27)39(29)21-22-18-19-26(23-11-6-5-7-12-23)28(20-22)33(40)42-2/h5-16,18-20,30H,3-4,17,21H2,1-2H3,(H3,36,38,41)