[[[3-azanyl-2-(4-phenylphenyl)-6-propanoyloxycarbonyl-phenyl]amino]-phenyl-methyl]phosphonic acid

Systemtic Name: [[[3-azanyl-2-(4-phenylphenyl)-6-propanoyloxycarbonyl-phenyl]amino]-phenyl-methyl]phosphonic acid Openeye Name: [[3-amino-2-(4-phenylphenyl)-6-propanoyloxycarbonyl-anilino]-phenyl-methyl]phosphonic acid CAS Name: [[3-amino-6-[oxo(1-oxopropoxy)methyl]-2-(4-phenylphenyl)anilino]-phenylmethyl]phosphonic acid IUPAC Name: [[3-amino-2-(4-phenylphenyl)-6-propanoyloxycarbonylanilino]-phenylmethyl]phosphonic acid Traditional Name: [[3-amino-2-(4-phenylphenyl)-6-propionyloxycarbonyl-anilino]-phenyl-methyl]phosphonic acid Formula: C29H27N2O6P MolecularWeight: 530.508241

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(=O)C1=C(C(=C(C=C1)N)C2=CC=C(C=C2)C3=CC=CC=C3)NC(C4=CC=CC=C4)P(=O)(O)O

Isomeric SMILES

CCC(=O)OC(=O)C1=C(C(=C(C=C1)N)C2=CC=C(C=C2)C3=CC=CC=C3)NC(C4=CC=CC=C4)P(=O)(O)O

InChI

InChI=1S/C29H27N2O6P/c1-2-25(32)37-29(33)23-17-18-24(30)26(21-15-13-20(14-16-21)19-9-5-3-6-10-19)27(23)31-28(38(34,35)36)22-11-7-4-8-12-22/h3-18,28,31H,2,30H2,1H3,(H2,34,35,36)