N-[(1R)-1-(1-adamantyl)ethyl]-3-bromanyl-5-ethoxy-4-(3-methylbutoxy)benzamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-bromanyl-5-ethoxy-4-(3-methylbutoxy)benzamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-bromo-5-ethoxy-4-isopentyloxy-benzamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-bromo-5-ethoxy-4-(3-methylbutoxy)benzamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-bromo-5-ethoxy-4-(3-methylbutoxy)benzamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-bromo-5-ethoxy-4-isoamoxy-benzamide Formula: C26H38BrNO3 MolecularWeight: 492.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)NC(C)C23CC4CC(C2)CC(C4)C3)Br)OCCC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3)Br)OCCC(C)C

InChI

InChI=1S/C26H38BrNO3/c1-5-30-23-12-21(11-22(27)24(23)31-7-6-16(2)3)25(29)28-17(4)26-13-18-8-19(14-26)10-20(9-18)15-26/h11-12,16-20H,5-10,13-15H2,1-4H3,(H,28,29)/t17-,18?,19?,20?,26?/m1/s1