methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]cyclohexyl]propanoate

Systemtic Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]cyclohexyl]propanoate Openeye Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]cyclohexyl]propanoate CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]cyclohexyl]propanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-1-yl]cyclohexyl]propionic acid methyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2CCC(CC2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=C(C(=O)N(C1)C2CCC(CC2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H29N3O4/c1-28-18-13-25(17-10-3-14(4-11-17)5-12-19(26)29-2)22(27)20(18)15-6-8-16(9-7-15)21(23)24/h6-9,14,17H,3-5,10-13H2,1-2H3,(H3,23,24)