2-[2-[[3-(4-chlorophenyl)-4-[4-(2-phenylethynyl)phenyl]butan-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[2-[[3-(4-chlorophenyl)-4-[4-(2-phenylethynyl)phenyl]butan-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[[2-(4-chlorophenyl)-1-methyl-3-[4-(2-phenylethynyl)phenyl]propyl]-(2-naphthylmethyl)amino]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-[[3-(4-chlorophenyl)-4-[4-(2-phenylethynyl)phenyl]butan-2-yl]-(2-naphthalenylmethyl)amino]-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-[[3-(4-chlorophenyl)-4-[4-(2-phenylethynyl)phenyl]butan-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-[[2-(4-chlorophenyl)-1-methyl-3-[4-(2-phenylethynyl)phenyl]propyl]-(2-naphthylmethyl)amino]-2-keto-ethyl]succinic acid Formula: C41H36ClNO5 MolecularWeight: 658.18124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)C3=CC=C(C=C3)Cl)N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)C3=CC=C(C=C3)Cl)N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C41H36ClNO5/c1-28(43(39(44)25-36(41(47)48)26-40(45)46)27-32-17-18-33-9-5-6-10-35(33)23-32)38(34-19-21-37(42)22-20-34)24-31-15-13-30(14-16-31)12-11-29-7-3-2-4-8-29/h2-10,13-23,28,36,38H,24-27H2,1H3,(H,45,46)(H,47,48)