(E)-4-[3-[5-(4-carbamimidoylphenoxy)pentoxy]-6-[di(propan-2-yl)carbamoyl]-2-methoxy-phenoxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[3-[5-(4-carbamimidoylphenoxy)pentoxy]-6-[di(propan-2-yl)carbamoyl]-2-methoxy-phenoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-[5-(4-carbamimidoylphenoxy)pentoxy]-6-(diisopropylcarbamoyl)-2-methoxy-phenoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-[5-(4-carbamimidoylphenoxy)pentoxy]-6-[[di(propan-2-yl)amino]-oxomethyl]-2-methoxyphenoxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-[5-(4-carbamimidoylphenoxy)pentoxy]-6-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[3-[5-(4-amidinophenoxy)pentoxy]-6-(diisopropylcarbamoyl)-2-methoxy-phenoxy]-4-keto-but-2-enoic acid Formula: C30H39N3O8 MolecularWeight: 569.64596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1=C(C(=C(C=C1)OCCCCCOC2=CC=C(C=C2)C(=N)N)OC)OC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=C(C(=C(C=C1)OCCCCCOC2=CC=C(C=C2)C(=N)N)OC)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C30H39N3O8/c1-19(2)33(20(3)4)30(37)23-13-14-24(28(38-5)27(23)41-26(36)16-15-25(34)35)40-18-8-6-7-17-39-22-11-9-21(10-12-22)29(31)32/h9-16,19-20H,6-8,17-18H2,1-5H3,(H3,31,32)(H,34,35)/b16-15+