(4-butoxyphenyl)-[2-[5-(3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[2-[5-(3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[2-[5-(m-tolyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[2-[5-(3-methylphenyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinyl]methanone IUPAC Name: (4-butoxyphenyl)-[2-[5-(3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[2-[5-(m-tolyl)-1,3-benzoxazol-2-yl]pyrrolidino]methanone Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCCC2C3=NC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCCC2C3=NC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)C

InChI

InChI=1S/C29H30N2O3/c1-3-4-17-33-24-13-10-21(11-14-24)29(32)31-16-6-9-26(31)28-30-25-19-23(12-15-27(25)34-28)22-8-5-7-20(2)18-22/h5,7-8,10-15,18-19,26H,3-4,6,9,16-17H2,1-2H3