ethyl 5-[3-(naphthalen-2-ylmethylamino)-2-(4-nitrophenyl)butyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[3-(naphthalen-2-ylmethylamino)-2-(4-nitrophenyl)butyl]furan-2-carboxylate Openeye Name: ethyl 5-[3-(2-naphthylmethylamino)-2-(4-nitrophenyl)butyl]furan-2-carboxylate CAS Name: 5-[3-(2-naphthalenylmethylamino)-2-(4-nitrophenyl)butyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(naphthalen-2-ylmethylamino)-2-(4-nitrophenyl)butyl]furan-2-carboxylate Traditional Name: 5-[3-(2-naphthylmethylamino)-2-(4-nitrophenyl)butyl]furan-2-carboxylic acid ethyl ester Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CC(C2=CC=C(C=C2)[N+](=O)[O-])C(C)NCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CC(C2=CC=C(C=C2)[N+](=O)[O-])C(C)NCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H28N2O5/c1-3-34-28(31)27-15-14-25(35-27)17-26(22-10-12-24(13-11-22)30(32)33)19(2)29-18-20-8-9-21-6-4-5-7-23(21)16-20/h4-16,19,26,29H,3,17-18H2,1-2H3