azanyl 3-[2-[5-(4-carbamimidoylphenyl)pentanoyl]-4-phenylmethoxy-phenyl]propanoate

Systemtic Name: azanyl 3-[2-[5-(4-carbamimidoylphenyl)pentanoyl]-4-phenylmethoxy-phenyl]propanoate Openeye Name: amino 3-[4-benzyloxy-2-[5-(4-carbamimidoylphenyl)pentanoyl]phenyl]propanoate CAS Name: 3-[2-[5-(4-carbamimidoylphenyl)-1-oxopentyl]-4-phenylmethoxyphenyl]propanoic acid amino ester IUPAC Name: amino 3-[2-[5-(4-carbamimidoylphenyl)pentanoyl]-4-phenylmethoxyphenyl]propanoate Traditional Name: 3-[2-[5-(4-amidinophenyl)pentanoyl]-4-benzoxy-phenyl]propionic acid amino ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=C(C=C2)CCC(=O)ON)C(=O)CCCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=C(C=C2)CCC(=O)ON)C(=O)CCCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C28H31N3O4/c29-28(30)23-12-10-20(11-13-23)6-4-5-9-26(32)25-18-24(34-19-21-7-2-1-3-8-21)16-14-22(25)15-17-27(33)35-31/h1-3,7-8,10-14,16,18H,4-6,9,15,17,19,31H2,(H3,29,30)