[1-(4-carbamimidoylphenyl)carbonylpyrrolidin-2-yl] 3-oxidanylidene-2-phenoxy-prop-2-enoate

Systemtic Name: [1-(4-carbamimidoylphenyl)carbonylpyrrolidin-2-yl] 3-oxidanylidene-2-phenoxy-prop-2-enoate Openeye Name: [1-(4-carbamimidoylbenzoyl)pyrrolidin-2-yl] 3-oxo-2-phenoxy-prop-2-enoate CAS Name: 3-oxo-2-phenoxy-2-propenoic acid [1-[(4-carbamimidoylphenyl)-oxomethyl]-2-pyrrolidinyl] ester IUPAC Name: [1-(4-carbamimidoylbenzoyl)pyrrolidin-2-yl] 3-oxo-2-phenoxyprop-2-enoate Traditional Name: 3-keto-2-phenoxy-acrylic acid [1-(4-amidinobenzoyl)pyrrolidin-2-yl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C(=N)N)OC(=O)C(=C=O)OC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C(=N)N)OC(=O)C(=C=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O5/c22-19(23)14-8-10-15(11-9-14)20(26)24-12-4-7-18(24)29-21(27)17(13-25)28-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12H2,(H3,22,23)