2-[[5-chloranyl-2-(dinaphthalen-1-ylmethylamino)phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[5-chloranyl-2-(dinaphthalen-1-ylmethylamino)phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[2-[bis(1-naphthyl)methylamino]-5-chloro-benzoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[2-[bis(1-naphthalenyl)methylamino]-5-chlorophenyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[5-chloro-2-(dinaphthalen-1-ylmethylamino)benzoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[2-[bis(1-naphthyl)methylamino]-5-chloro-benzoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C43H33ClN2O3 MolecularWeight: 661.18672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC(=C3)Cl)NC(C4=CC=CC5=CC=CC=C54)C6=CC=CC7=CC=CC=C76

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC(=C3)Cl)NC(C4=CC=CC5=CC=CC=C54)C6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C43H33ClN2O3/c44-33-24-25-39(38(27-33)42(47)46-40(43(48)49)26-28-20-22-30(23-21-28)29-10-2-1-3-11-29)45-41(36-18-8-14-31-12-4-6-16-34(31)36)37-19-9-15-32-13-5-7-17-35(32)37/h1-25,27,40-41,45H,26H2,(H,46,47)(H,48,49)