2-[(2,4-dichlorophenyl)carbonyl-[(2-isocyanophenyl)methyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2,4-dichlorophenyl)carbonyl-[(2-isocyanophenyl)methyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2,4-dichlorobenzoyl)-[(2-isocyanophenyl)methyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]-[(2-isocyanophenyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2,4-dichlorobenzoyl)-[(2-isocyanophenyl)methyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(2,4-dichlorobenzoyl)-(2-isocyanobenzyl)amino]-3-phenyl-propionic acid Formula: C24H18Cl2N2O3 MolecularWeight: 453.31732

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=CC=C1CN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

[C-]#[N+]C1=CC=CC=C1CN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H18Cl2N2O3/c1-27-21-10-6-5-9-17(21)15-28(23(29)19-12-11-18(25)14-20(19)26)22(24(30)31)13-16-7-3-2-4-8-16/h2-12,14,22H,13,15H2,(H,30,31)