3-[[5-iodanyl-2-(naphthalen-2-ylmethylamino)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: 3-[[5-iodanyl-2-(naphthalen-2-ylmethylamino)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: 3-[[5-iodo-2-(2-naphthylmethylamino)benzoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[5-iodo-2-(2-naphthalenylmethylamino)phenyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: 3-[[5-iodo-2-(naphthalen-2-ylmethylamino)benzoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[5-iodo-2-(2-naphthylmethylamino)benzoyl]amino]-3-phenyl-propionate Formula: C27H22IN2O3- MolecularWeight: 549.37965

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C2=C(C=CC(=C2)I)NCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C2=C(C=CC(=C2)I)NCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H23IN2O3/c28-22-12-13-24(29-17-18-10-11-19-6-4-5-9-21(19)14-18)23(15-22)27(33)30-25(16-26(31)32)20-7-2-1-3-8-20/h1-15,25,29H,16-17H2,(H,30,33)(H,31,32)/p-1