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

Systemtic Name: azanyl 3-[2-[5-(4-carbamimidoylphenyl)pentanoyl]-3-phenoxy-phenyl]propanoate Openeye Name: amino 3-[2-[5-(4-carbamimidoylphenyl)pentanoyl]-3-phenoxy-phenyl]propanoate CAS Name: 3-[2-[5-(4-carbamimidoylphenyl)-1-oxopentyl]-3-phenoxyphenyl]propanoic acid amino ester IUPAC Name: amino 3-[2-[5-(4-carbamimidoylphenyl)pentanoyl]-3-phenoxyphenyl]propanoate Traditional Name: 3-[2-[5-(4-amidinophenyl)pentanoyl]-3-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=CC(=C2C(=O)CCCCC3=CC=C(C=C3)C(=N)N)CCC(=O)ON

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2C(=O)CCCCC3=CC=C(C=C3)C(=N)N)CCC(=O)ON

InChI

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