ethyl 3-[(3-bromanyl-4-pyrrolidin-1-ylcarbonyl-phenyl)carbonylamino]-3-(3-carbamimidoylphenyl)propanoate

Systemtic Name: ethyl 3-[(3-bromanyl-4-pyrrolidin-1-ylcarbonyl-phenyl)carbonylamino]-3-(3-carbamimidoylphenyl)propanoate Openeye Name: ethyl 3-[[3-bromo-4-(pyrrolidine-1-carbonyl)benzoyl]amino]-3-(3-carbamimidoylphenyl)propanoate CAS Name: 3-[[[3-bromo-4-[oxo(1-pyrrolidinyl)methyl]phenyl]-oxomethyl]amino]-3-(3-carbamimidoylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-bromo-4-(pyrrolidine-1-carbonyl)benzoyl]amino]-3-(3-carbamimidoylphenyl)propanoate Traditional Name: 3-(3-amidinophenyl)-3-[[3-bromo-4-(pyrrolidine-1-carbonyl)benzoyl]amino]propionic acid ethyl ester Formula: C24H27BrN4O4 MolecularWeight: 515.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC(=C1)C(=N)N)NC(=O)C2=CC(=C(C=C2)C(=O)N3CCCC3)Br

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC(=C1)C(=N)N)NC(=O)C2=CC(=C(C=C2)C(=O)N3CCCC3)Br

InChI

InChI=1S/C24H27BrN4O4/c1-2-33-21(30)14-20(15-6-5-7-16(12-15)22(26)27)28-23(31)17-8-9-18(19(25)13-17)24(32)29-10-3-4-11-29/h5-9,12-13,20H,2-4,10-11,14H2,1H3,(H3,26,27)(H,28,31)