2-[[2-acetyloxy-6-(phenylmethoxycarbonylamino)hexanoyl]-(4-methoxyphenyl)amino]ethanoic acid

Systemtic Name: 2-[[2-acetyloxy-6-(phenylmethoxycarbonylamino)hexanoyl]-(4-methoxyphenyl)amino]ethanoic acid Openeye Name: 2-(N-[2-acetoxy-6-(benzyloxycarbonylamino)hexanoyl]-4-methoxy-anilino)acetic acid CAS Name: 2-(N-[2-acetyloxy-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]-4-methoxyanilino)acetic acid IUPAC Name: 2-(N-[2-acetyloxy-6-(phenylmethoxycarbonylamino)hexanoyl]-4-methoxyanilino)acetic acid Traditional Name: 2-(N-[2-acetoxy-6-(benzyloxycarbonylamino)hexanoyl]-4-methoxy-anilino)acetic acid Formula: C25H30N2O8 MolecularWeight: 486.5143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)N(CC(=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)OC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)N(CC(=O)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C25H30N2O8/c1-18(28)35-22(10-6-7-15-26-25(32)34-17-19-8-4-3-5-9-19)24(31)27(16-23(29)30)20-11-13-21(33-2)14-12-20/h3-5,8-9,11-14,22H,6-7,10,15-17H2,1-2H3,(H,26,32)(H,29,30)