4-[[6-azanyl-2-(methoxycarbonylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoic acid

Systemtic Name: 4-[[6-azanyl-2-(methoxycarbonylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoic acid Openeye Name: 4-[[6-amino-2-(methoxycarbonylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoic acid CAS Name: 4-[[6-amino-2-(methoxycarbonylamino)-1-oxohexyl]amino]-2-(3-hydroxyphenyl)benzoic acid IUPAC Name: 4-[[6-amino-2-(methoxycarbonylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoic acid Traditional Name: 4-[[6-amino-2-(carbomethoxyamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6/c1-30-21(29)24-18(7-2-3-10-22)19(26)23-14-8-9-16(20(27)28)17(12-14)13-5-4-6-15(25)11-13/h4-6,8-9,11-12,18,25H,2-3,7,10,22H2,1H3,(H,23,26)(H,24,29)(H,27,28)