methyl 2-[1-[4-(3-aminocarbonylphenyl)phenyl]carbonylpyrrolidin-2-yl]-3-(3-carbamimidoylphenyl)propanoate

Systemtic Name: methyl 2-[1-[4-(3-aminocarbonylphenyl)phenyl]carbonylpyrrolidin-2-yl]-3-(3-carbamimidoylphenyl)propanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(3-carbamoylphenyl)benzoyl]pyrrolidin-2-yl]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-2-[1-[[4-(3-carbamoylphenyl)phenyl]-oxomethyl]-2-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(3-carbamoylphenyl)benzoyl]pyrrolidin-2-yl]propanoate Traditional Name: 3-(3-amidinophenyl)-2-[1-[4-(3-carbamoylphenyl)benzoyl]pyrrolidin-2-yl]propionic acid methyl ester Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C2CCCN2C(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)C(=O)N

Isomeric SMILES

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C2CCCN2C(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)C(=O)N

InChI

InChI=1S/C29H30N4O4/c1-37-29(36)24(16-18-5-2-7-22(15-18)26(30)31)25-9-4-14-33(25)28(35)20-12-10-19(11-13-20)21-6-3-8-23(17-21)27(32)34/h2-3,5-8,10-13,15,17,24-25H,4,9,14,16H2,1H3,(H3,30,31)(H2,32,34)