(3S)-3-(1H-benzimidazol-2-yl)-4-[(3-chloranyl-2-methyl-phenyl)amino]butanoate

Systemtic Name: (3S)-3-(1H-benzimidazol-2-yl)-4-[(3-chloranyl-2-methyl-phenyl)amino]butanoate Openeye Name: (3S)-3-(1H-benzimidazol-2-yl)-4-(3-chloro-2-methyl-anilino)butanoate CAS Name: (3S)-3-(1H-benzimidazol-2-yl)-4-(3-chloro-2-methylanilino)butanoate IUPAC Name: (3S)-3-(1H-benzimidazol-2-yl)-4-(3-chloro-2-methylanilino)butanoate Traditional Name: (3S)-3-(1H-benzimidazol-2-yl)-4-(3-chloro-2-methyl-anilino)butyrate Formula: C18H17ClN3O2- MolecularWeight: 342.79948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NCC(CC(=O)[O-])C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC[C@H](CC(=O)[O-])C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H18ClN3O2/c1-11-13(19)5-4-8-14(11)20-10-12(9-17(23)24)18-21-15-6-2-3-7-16(15)22-18/h2-8,12,20H,9-10H2,1H3,(H,21,22)(H,23,24)/p-1/t12-/m0/s1