ethyl 2-[4-isocyano-2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-isocyano-2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]phenoxy]ethanoate Openeye Name: ethyl 2-[4-isocyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenoxy]acetate CAS Name: 2-[4-isocyano-2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-isocyano-2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]phenoxy]acetate Traditional Name: 2-[4-isocyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenoxy]acetic acid ethyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)[N+]#[C-])NC(=O)C(CC(C)C)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)[N+]#[C-])NC(=O)C(CC(C)C)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C27H28N2O4/c1-5-32-26(30)17-33-25-14-13-20(28-4)16-24(25)29-27(31)23(15-18(2)3)22-12-8-10-19-9-6-7-11-21(19)22/h6-14,16,18,23H,5,15,17H2,1-3H3,(H,29,31)