ethyl 3-[3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2-methyl-imidazol-4-yl]-3-oxidanyl-2-(phenylmethyl)propanoate

Systemtic Name: ethyl 3-[3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2-methyl-imidazol-4-yl]-3-oxidanyl-2-(phenylmethyl)propanoate Openeye Name: ethyl 2-benzyl-3-[3-[(2-chloro-4-pentoxy-phenyl)methyl]-2-methyl-imidazol-4-yl]-3-hydroxy-propanoate CAS Name: 3-[3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-4-imidazolyl]-3-hydroxy-2-(phenylmethyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-3-[3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methylimidazol-4-yl]-3-hydroxypropanoate Traditional Name: 3-[3-(4-amoxy-2-chloro-benzyl)-2-methyl-imidazol-4-yl]-2-benzyl-3-hydroxy-propionic acid ethyl ester Formula: C28H35ClN2O4 MolecularWeight: 499.0415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)CN2C(=NC=C2C(C(CC3=CC=CC=C3)C(=O)OCC)O)C)Cl

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)CN2C(=NC=C2C(C(CC3=CC=CC=C3)C(=O)OCC)O)C)Cl

InChI

InChI=1S/C28H35ClN2O4/c1-4-6-10-15-35-23-14-13-22(25(29)17-23)19-31-20(3)30-18-26(31)27(32)24(28(33)34-5-2)16-21-11-8-7-9-12-21/h7-9,11-14,17-18,24,27,32H,4-6,10,15-16,19H2,1-3H3