methyl 2-[5-[(7-carbamimidoyl-9,10-dihydrophenanthren-2-yl)oxymethyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate

Systemtic Name: methyl 2-[5-[(7-carbamimidoyl-9,10-dihydrophenanthren-2-yl)oxymethyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate Openeye Name: methyl 2-[5-[(7-carbamimidoyl-9,10-dihydrophenanthren-2-yl)oxymethyl]-2-oxo-pyrrolidin-3-yl]acetate CAS Name: 2-[5-[(7-carbamimidoyl-9,10-dihydrophenanthren-2-yl)oxymethyl]-2-oxo-3-pyrrolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[(7-carbamimidoyl-9,10-dihydrophenanthren-2-yl)oxymethyl]-2-oxopyrrolidin-3-yl]acetate Traditional Name: 2-[5-[(7-amidino-9,10-dihydrophenanthren-2-yl)oxymethyl]-2-keto-pyrrolidin-3-yl]acetic acid methyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC(NC1=O)COC2=CC3=C(C=C2)C4=C(CC3)C=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)CC1CC(NC1=O)COC2=CC3=C(C=C2)C4=C(CC3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C23H25N3O4/c1-29-21(27)11-16-9-17(26-23(16)28)12-30-18-5-7-20-14(10-18)3-2-13-8-15(22(24)25)4-6-19(13)20/h4-8,10,16-17H,2-3,9,11-12H2,1H3,(H3,24,25)(H,26,28)