O1-ethyl O4-methyl 2-cyano-2-[naphthalen-1-yl(phenanthren-4-yl)methyl]butanedioate

Systemtic Name: O1-ethyl O4-methyl 2-cyano-2-[naphthalen-1-yl(phenanthren-4-yl)methyl]butanedioate Openeye Name: O1-ethyl O4-methyl 2-cyano-2-[1-naphthyl(4-phenanthryl)methyl]butanedioate CAS Name: 2-cyano-2-[1-naphthalenyl(4-phenanthrenyl)methyl]butanedioic acid O1-ethyl ester O4-methyl ester IUPAC Name: 1-O-ethyl 4-O-methyl 2-cyano-2-[naphthalen-1-yl(phenanthren-4-yl)methyl]butanedioate Traditional Name: 2-cyano-2-[1-naphthyl(4-phenanthryl)methyl]succinic acid O1-ethyl ester O4-methyl ester Formula: C33H27NO4 MolecularWeight: 501.57178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)OC)(C#N)C(C1=CC=CC2=CC=CC=C21)C3=CC=CC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CCOC(=O)C(CC(=O)OC)(C#N)C(C1=CC=CC2=CC=CC=C21)C3=CC=CC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C33H27NO4/c1-3-38-32(36)33(21-34,20-29(35)37-2)31(27-16-8-12-22-10-4-6-14-25(22)27)28-17-9-13-24-19-18-23-11-5-7-15-26(23)30(24)28/h4-19,31H,3,20H2,1-2H3