methyl 3-[4-(4-carbamimidoylphenyl)-3-[2-oxidanylidene-2-(phenethylamino)ethyl]piperazin-1-yl]propanoate

Systemtic Name: methyl 3-[4-(4-carbamimidoylphenyl)-3-[2-oxidanylidene-2-(phenethylamino)ethyl]piperazin-1-yl]propanoate Openeye Name: methyl 3-[4-(4-carbamimidoylphenyl)-3-[2-oxo-2-(phenethylamino)ethyl]piperazin-1-yl]propanoate CAS Name: 3-[4-(4-carbamimidoylphenyl)-3-[2-oxo-2-(phenethylamino)ethyl]-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-carbamimidoylphenyl)-3-[2-oxo-2-(phenethylamino)ethyl]piperazin-1-yl]propanoate Traditional Name: 3-[4-(4-amidinophenyl)-3-[2-keto-2-(phenethylamino)ethyl]piperazino]propionic acid methyl ester Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(C(C1)CC(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCN1CCN(C(C1)CC(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H33N5O3/c1-33-24(32)12-14-29-15-16-30(21-9-7-20(8-10-21)25(26)27)22(18-29)17-23(31)28-13-11-19-5-3-2-4-6-19/h2-10,22H,11-18H2,1H3,(H3,26,27)(H,28,31)