pentyl 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate

Systemtic Name: pentyl 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate Openeye Name: pentyl 3-imidazol-1-yl-2,2-dimethyl-3-[4-(2-naphthylamino)phenyl]propanoate CAS Name: 3-(1-imidazolyl)-2,2-dimethyl-3-[4-(2-naphthalenylamino)phenyl]propanoic acid pentyl ester IUPAC Name: pentyl 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate Traditional Name: 3-imidazol-1-yl-2,2-dimethyl-3-[4-(2-naphthylamino)phenyl]propionic acid amyl ester Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)(C)C(C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2)N4C=CN=C4

Isomeric SMILES

CCCCCOC(=O)C(C)(C)C(C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2)N4C=CN=C4

InChI

InChI=1S/C29H33N3O2/c1-4-5-8-19-34-28(33)29(2,3)27(32-18-17-30-21-32)23-12-14-25(15-13-23)31-26-16-11-22-9-6-7-10-24(22)20-26/h6-7,9-18,20-21,27,31H,4-5,8,19H2,1-3H3