2-[(3S)-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(3S)-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[(3S)-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[(3S)-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[(3S)-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[(3S)-5-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1[C@H](C(=O)NC1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16?/m0/s1