N-(6-azanylhexyl)-3-methyl-2-[methyl-[2-(4-phenylmethoxyphenyl)ethanoyl]amino]butanamide

Systemtic Name: N-(6-azanylhexyl)-3-methyl-2-[methyl-[2-(4-phenylmethoxyphenyl)ethanoyl]amino]butanamide Openeye Name: N-(6-aminohexyl)-2-[[2-(4-benzyloxyphenyl)acetyl]-methyl-amino]-3-methyl-butanamide CAS Name: N-(6-aminohexyl)-3-methyl-2-[methyl-[1-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]butanamide IUPAC Name: N-(6-aminohexyl)-3-methyl-2-[methyl-[2-(4-phenylmethoxyphenyl)acetyl]amino]butanamide Traditional Name: N-(6-aminohexyl)-2-[[2-(4-benzoxyphenyl)acetyl]-methyl-amino]-3-methyl-butyramide Formula: C27H39N3O3 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCCCCCN)N(C)C(=O)CC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NCCCCCCN)N(C)C(=O)CC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C27H39N3O3/c1-21(2)26(27(32)29-18-10-5-4-9-17-28)30(3)25(31)19-22-13-15-24(16-14-22)33-20-23-11-7-6-8-12-23/h6-8,11-16,21,26H,4-5,9-10,17-20,28H2,1-3H3,(H,29,32)