2-cyano-2-[naphthalen-1-yl(phenanthren-4-yl)methyl]butanedioic acid

Systemtic Name: 2-cyano-2-[naphthalen-1-yl(phenanthren-4-yl)methyl]butanedioic acid Openeye Name: 2-cyano-2-[1-naphthyl(4-phenanthryl)methyl]butanedioic acid CAS Name: 2-cyano-2-[1-naphthalenyl(4-phenanthrenyl)methyl]butanedioic acid IUPAC Name: 2-cyano-2-[naphthalen-1-yl(phenanthren-4-yl)methyl]butanedioic acid Traditional Name: 2-cyano-2-[1-naphthyl(4-phenanthryl)methyl]succinic acid Formula: C30H21NO4 MolecularWeight: 459.49204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=C3C5=CC=CC=C5C=C4)C(CC(=O)O)(C#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=C3C5=CC=CC=C5C=C4)C(CC(=O)O)(C#N)C(=O)O

InChI

InChI=1S/C30H21NO4/c31-18-30(29(34)35,17-26(32)33)28(24-13-5-9-19-7-1-3-11-22(19)24)25-14-6-10-21-16-15-20-8-2-4-12-23(20)27(21)25/h1-16,28H,17H2,(H,32,33)(H,34,35)