methyl 3-(3-carbamimidoylphenyl)-2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]carbonylamino]propanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-2-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]benzoyl]amino]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-2-[[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]propanoate Traditional Name: 2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]benzoyl]amino]-3-(3-amidinophenyl)propionic acid methyl ester Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NC(CC3=CC=CC(=C3)C(=N)N)C(=O)OC

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NC(CC3=CC=CC(=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C25H31N5O4/c1-16(26)30-12-10-21(11-13-30)34-20-8-6-18(7-9-20)24(31)29-22(25(32)33-2)15-17-4-3-5-19(14-17)23(27)28/h3-9,14,21-22,26H,10-13,15H2,1-2H3,(H3,27,28)(H,29,31)