methyl 2-[[4-(aminomethyl)-2-chloranyl-phenyl]carbonylamino]-3-benzamido-propanoate

Systemtic Name: methyl 2-[[4-(aminomethyl)-2-chloranyl-phenyl]carbonylamino]-3-benzamido-propanoate Openeye Name: methyl 2-[[4-(aminomethyl)-2-chloro-benzoyl]amino]-3-benzamido-propanoate CAS Name: 2-[[[4-(aminomethyl)-2-chlorophenyl]-oxomethyl]amino]-3-benzamidopropanoic acid methyl ester IUPAC Name: methyl 2-[[4-(aminomethyl)-2-chlorobenzoyl]amino]-3-benzamidopropanoate Traditional Name: 2-[[4-(aminomethyl)-2-chloro-benzoyl]amino]-3-benzamido-propionic acid methyl ester Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)C1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)CN)Cl

Isomeric SMILES

COC(=O)C(CNC(=O)C1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)CN)Cl

InChI

InChI=1S/C19H20ClN3O4/c1-27-19(26)16(11-22-17(24)13-5-3-2-4-6-13)23-18(25)14-8-7-12(10-21)9-15(14)20/h2-9,16H,10-11,21H2,1H3,(H,22,24)(H,23,25)