(3S)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]-4-[(3-methylphenyl)amino]butanoate

Systemtic Name: (3S)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]-4-[(3-methylphenyl)amino]butanoate Openeye Name: (3S)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]-4-(3-methylanilino)butanoate CAS Name: (3S)-3-[1-(2-methoxyethyl)-2-benzimidazolyl]-4-(3-methylanilino)butanoate IUPAC Name: (3S)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]-4-(3-methylanilino)butanoate Traditional Name: (3S)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]-4-(m-toluidino)butyrate Formula: C21H24N3O3- MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC(CC(=O)[O-])C2=NC3=CC=CC=C3N2CCOC

Isomeric SMILES

CC1=CC(=CC=C1)NC[C@H](CC(=O)[O-])C2=NC3=CC=CC=C3N2CCOC

InChI

InChI=1S/C21H25N3O3/c1-15-6-5-7-17(12-15)22-14-16(13-20(25)26)21-23-18-8-3-4-9-19(18)24(21)10-11-27-2/h3-9,12,16,22H,10-11,13-14H2,1-2H3,(H,25,26)/p-1/t16-/m0/s1