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

Systemtic Name: azanyl 3-[2-[5-(4-carbamimidoylphenyl)pentanoyl]-4-phenoxy-phenyl]propanoate Openeye Name: amino 3-[2-[5-(4-carbamimidoylphenyl)pentanoyl]-4-phenoxy-phenyl]propanoate CAS Name: 3-[2-[5-(4-carbamimidoylphenyl)-1-oxopentyl]-4-phenoxyphenyl]propanoic acid amino ester IUPAC Name: amino 3-[2-[5-(4-carbamimidoylphenyl)pentanoyl]-4-phenoxyphenyl]propanoate Traditional Name: 3-[2-[5-(4-amidinophenyl)pentanoyl]-4-phenoxy-phenyl]propionic acid amino ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC(=C(C=C2)CCC(=O)ON)C(=O)CCCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC(=C(C=C2)CCC(=O)ON)C(=O)CCCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H29N3O4/c28-27(29)21-12-10-19(11-13-21)6-4-5-9-25(31)24-18-23(33-22-7-2-1-3-8-22)16-14-20(24)15-17-26(32)34-30/h1-3,7-8,10-14,16,18H,4-6,9,15,17,30H2,(H3,28,29)