methyl 4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-(3-hydroxyphenyl)benzoate

Systemtic Name: methyl 4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-(3-hydroxyphenyl)benzoate Openeye Name: methyl 4-[(2-acetamido-6-amino-hexanoyl)amino]-2-(3-hydroxyphenyl)benzoate CAS Name: 4-[(2-acetamido-6-amino-1-oxohexyl)amino]-2-(3-hydroxyphenyl)benzoic acid methyl ester IUPAC Name: methyl 4-[(2-acetamido-6-aminohexanoyl)amino]-2-(3-hydroxyphenyl)benzoate Traditional Name: 4-[(2-acetamido-6-amino-hexanoyl)amino]-2-(3-hydroxyphenyl)benzoic acid methyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)OC)C2=CC(=CC=C2)O

Isomeric SMILES

CC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)OC)C2=CC(=CC=C2)O

InChI

InChI=1S/C22H27N3O5/c1-14(26)24-20(8-3-4-11-23)21(28)25-16-9-10-18(22(29)30-2)19(13-16)15-6-5-7-17(27)12-15/h5-7,9-10,12-13,20,27H,3-4,8,11,23H2,1-2H3,(H,24,26)(H,25,28)