2-azanyl-3-[4-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-ylmethyl)-3-prop-2-enyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-ylmethyl)-3-prop-2-enyl-phenyl]propanoic acid Openeye Name: 3-[3-allyl-4-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-ylmethyl)phenyl]-2-amino-propanoic acid CAS Name: 2-amino-3-[4-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-ylmethyl)-3-prop-2-enylphenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-ylmethyl)-3-prop-2-enylphenyl]propanoic acid Traditional Name: 3-[3-allyl-4-(2-chlorobenzyl)-2-(1H-imidazol-5-ylmethyl)phenyl]-2-amino-propionic acid Formula: C23H24ClN3O2 MolecularWeight: 409.90856

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1CC2=CN=CN2)CC(C(=O)O)N)CC3=CC=CC=C3Cl

Isomeric SMILES

C=CCC1=C(C=CC(=C1CC2=CN=CN2)CC(C(=O)O)N)CC3=CC=CC=C3Cl

InChI

InChI=1S/C23H24ClN3O2/c1-2-5-19-15(10-17-6-3-4-7-21(17)24)8-9-16(11-22(25)23(28)29)20(19)12-18-13-26-14-27-18/h2-4,6-9,13-14,22H,1,5,10-12,25H2,(H,26,27)(H,28,29)