methyl 7-[[4-[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]phenyl]methylamino]-7-oxidanylidene-2-phenethyl-heptanoate

Systemtic Name: methyl 7-[[4-[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]phenyl]methylamino]-7-oxidanylidene-2-phenethyl-heptanoate Openeye Name: methyl 7-[[4-[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]phenyl]methylamino]-7-oxo-2-phenethyl-heptanoate CAS Name: 7-[[4-[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]phenyl]methylamino]-7-oxo-2-phenethylheptanoic acid methyl ester IUPAC Name: methyl 7-[[4-[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]phenyl]methylamino]-7-oxo-2-phenethylheptanoate Traditional Name: 7-[[4-(2-butyl-4-chloro-5-methylol-imidazol-1-yl)benzyl]amino]-7-keto-2-phenethyl-enanthic acid methyl ester Formula: C31H40ClN3O4 MolecularWeight: 554.12

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1C2=CC=C(C=C2)CNC(=O)CCCCC(CCC3=CC=CC=C3)C(=O)OC)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1C2=CC=C(C=C2)CNC(=O)CCCCC(CCC3=CC=CC=C3)C(=O)OC)CO)Cl

InChI

InChI=1S/C31H40ClN3O4/c1-3-4-13-28-34-30(32)27(22-36)35(28)26-19-16-24(17-20-26)21-33-29(37)14-9-8-12-25(31(38)39-2)18-15-23-10-6-5-7-11-23/h5-7,10-11,16-17,19-20,25,36H,3-4,8-9,12-15,18,21-22H2,1-2H3,(H,33,37)