1-acetyloxyethyl 2-carbamimidoyl-3-[3-methoxy-4-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-5-oxidanylidene-2H-pyrrol-1-yl]benzoate

Systemtic Name: 1-acetyloxyethyl 2-carbamimidoyl-3-[3-methoxy-4-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-5-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: 1-acetoxyethyl 2-carbamimidoyl-3-[3-methoxy-4-[4-(3-methoxy-3-oxo-propyl)phenyl]-5-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 2-carbamimidoyl-3-[3-methoxy-4-[4-(3-methoxy-3-oxopropyl)phenyl]-5-oxo-2H-pyrrol-1-yl]benzoic acid 1-acetyloxyethyl ester IUPAC Name: 1-acetyloxyethyl 2-carbamimidoyl-3-[3-methoxy-4-[4-(3-methoxy-3-oxopropyl)phenyl]-5-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 2-amidino-3-[2-keto-3-[4-(3-keto-3-methoxy-propyl)phenyl]-4-methoxy-3-pyrrolin-1-yl]benzoic acid 1-acetoxyethyl ester Formula: C27H29N3O8 MolecularWeight: 523.53446

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C)OC(=O)C1=C(C(=CC=C1)N2CC(=C(C2=O)C3=CC=C(C=C3)CCC(=O)OC)OC)C(=N)N

Isomeric SMILES

CC(OC(=O)C)OC(=O)C1=C(C(=CC=C1)N2CC(=C(C2=O)C3=CC=C(C=C3)CCC(=O)OC)OC)C(=N)N

InChI

InChI=1S/C27H29N3O8/c1-15(31)37-16(2)38-27(34)19-6-5-7-20(24(19)25(28)29)30-14-21(35-3)23(26(30)33)18-11-8-17(9-12-18)10-13-22(32)36-4/h5-9,11-12,16H,10,13-14H2,1-4H3,(H3,28,29)