2-[1-[(7-carbamimidoylphenanthren-2-yl)oxymethyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(7-carbamimidoylphenanthren-2-yl)oxymethyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-[(7-carbamimidoyl-2-phenanthryl)oxymethyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[1-[(7-carbamimidoyl-2-phenanthrenyl)oxymethyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-[(7-carbamimidoylphenanthren-2-yl)oxymethyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[1-[(7-amidino-2-phenanthryl)oxymethyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1CC(=O)O)COC2=CC3=C(C=C2)C4=C(C=C3)C=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(C(=O)C1CC(=O)O)COC2=CC3=C(C=C2)C4=C(C=C3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C22H21N3O4/c23-21(24)15-3-5-18-13(9-15)1-2-14-10-17(4-6-19(14)18)29-12-25-8-7-16(22(25)28)11-20(26)27/h1-6,9-10,16H,7-8,11-12H2,(H3,23,24)(H,26,27)