methyl 2-[2-[[(E)-3-(4-carbamimidoylphenyl)prop-2-enoyl]amino]ethyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethanoate hydrochloride

Systemtic Name: methyl 2-[2-[[(E)-3-(4-carbamimidoylphenyl)prop-2-enoyl]amino]ethyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethanoate hydrochloride Openeye Name: methyl 2-[2-[[(E)-3-(4-carbamimidoylphenyl)prop-2-enoyl]amino]ethyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetate hydrochloride CAS Name: 2-[2-[[(E)-3-(4-carbamimidoylphenyl)-1-oxoprop-2-enyl]amino]ethyl-[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[2-[[(E)-3-(4-carbamimidoylphenyl)prop-2-enoyl]amino]ethyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetate hydrochloride Traditional Name: 2-[2-[[(E)-3-(4-amidinophenyl)acryloyl]amino]ethyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid methyl ester hydrochloride Formula: C30H31ClN4O5 MolecularWeight: 563.04394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CCNC(=O)C=CC1=CC=C(C=C1)C(=N)N)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.Cl

Isomeric SMILES

COC(=O)CN(CCNC(=O)/C=C/C1=CC=C(C=C1)C(=N)N)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.Cl

InChI

InChI=1S/C30H30N4O5.ClH/c1-38-28(36)18-34(17-16-33-27(35)15-12-20-10-13-21(14-11-20)29(31)32)30(37)39-19-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;/h2-15,26H,16-19H2,1H3,(H3,31,32)(H,33,35);1H/b15-12+;