methyl 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-phenyl-propanoyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-phenyl-propanoyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-phenyl-propanoyl]phenoxy]acetate CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-phenylpropanoyl]phenoxy]acetate Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]-3-phenyl-propanoyl]phenoxy]acetic acid methyl ester Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=C(C=C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H25N3O5/c1-33-23(30)16-34-21-13-11-18(12-14-21)24(31)22(15-17-5-3-2-4-6-17)29-26(32)20-9-7-19(8-10-20)25(27)28/h2-14,22H,15-16H2,1H3,(H3,27,28)(H,29,32)