ethyl 2-[[3-[4-(4-isocyanophenyl)phenoxy]-3-phenyl-propyl]-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[[3-[4-(4-isocyanophenyl)phenoxy]-3-phenyl-propyl]-methyl-amino]ethanoate Openeye Name: ethyl 2-[[3-[4-(4-isocyanophenyl)phenoxy]-3-phenyl-propyl]-methyl-amino]acetate CAS Name: 2-[[3-[4-(4-isocyanophenyl)phenoxy]-3-phenylpropyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-[4-(4-isocyanophenyl)phenoxy]-3-phenylpropyl]-methylamino]acetate Traditional Name: 2-[[3-[4-(4-isocyanophenyl)phenoxy]-3-phenyl-propyl]-methyl-amino]acetic acid ethyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)[N+]#[C-]

Isomeric SMILES

CCOC(=O)CN(C)CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)[N+]#[C-]

InChI

InChI=1S/C27H28N2O3/c1-4-31-27(30)20-29(3)19-18-26(23-8-6-5-7-9-23)32-25-16-12-22(13-17-25)21-10-14-24(28-2)15-11-21/h5-17,26H,4,18-20H2,1,3H3