2-[(2-azanyl-3H-benzimidazol-5-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoic acid

Systemtic Name: 2-[(2-azanyl-3H-benzimidazol-5-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoic acid Openeye Name: 2-[(2-amino-3H-benzimidazol-5-yl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetic acid CAS Name: 2-[(2-amino-3H-benzimidazol-5-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetic acid IUPAC Name: 2-[(2-amino-3H-benzimidazol-5-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetic acid Traditional Name: 2-[(2-amino-3H-benzimidazol-5-yl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetic acid Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)O)NC2=CC3=C(C=C2)N=C(N3)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)O)NC2=CC3=C(C=C2)N=C(N3)N)OC(C)C

InChI

InChI=1S/C20H24N4O4/c1-4-27-17-9-12(5-8-16(17)28-11(2)3)18(19(25)26)22-13-6-7-14-15(10-13)24-20(21)23-14/h5-11,18,22H,4H2,1-3H3,(H,25,26)(H3,21,23,24)