ethyl 3-[3-isocyano-4-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]propanoate

Systemtic Name: ethyl 3-[3-isocyano-4-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]propanoate Openeye Name: ethyl 3-[4-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]-3-isocyano-phenyl]propanoate CAS Name: 3-[4-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]-3-isocyanophenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]-3-isocyanophenyl]propanoate Traditional Name: 3-[4-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]-3-isocyano-phenyl]propionic acid ethyl ester Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=C(C=C1)OCC(CNC(C)(C)CC2=CC3=CC=CC=C3C=C2)O)[N+]#[C-]

Isomeric SMILES

CCOC(=O)CCC1=CC(=C(C=C1)OCC(CNC(C)(C)CC2=CC3=CC=CC=C3C=C2)O)[N+]#[C-]

InChI

InChI=1S/C29H34N2O4/c1-5-34-28(33)15-12-21-11-14-27(26(17-21)30-4)35-20-25(32)19-31-29(2,3)18-22-10-13-23-8-6-7-9-24(23)16-22/h6-11,13-14,16-17,25,31-32H,5,12,15,18-20H2,1-3H3