3-[4-(2-azanyl-3-ethoxy-3-oxidanylidene-propoxy)carbonylphenyl]-4-(dimethylamino)-2-(2-methylpentanoylamino)benzoic acid

Systemtic Name: 3-[4-(2-azanyl-3-ethoxy-3-oxidanylidene-propoxy)carbonylphenyl]-4-(dimethylamino)-2-(2-methylpentanoylamino)benzoic acid Openeye Name: 3-[4-(2-amino-3-ethoxy-3-oxo-propoxy)carbonylphenyl]-4-(dimethylamino)-2-(2-methylpentanoylamino)benzoic acid CAS Name: 3-[4-[(2-amino-3-ethoxy-3-oxopropoxy)-oxomethyl]phenyl]-4-(dimethylamino)-2-[(2-methyl-1-oxopentyl)amino]benzoic acid IUPAC Name: 3-[4-(2-amino-3-ethoxy-3-oxopropoxy)carbonylphenyl]-4-(dimethylamino)-2-(2-methylpentanoylamino)benzoic acid Traditional Name: 3-[4-(2-amino-3-ethoxy-3-keto-propoxy)carbonylphenyl]-4-(dimethylamino)-2-(2-methylpentanoylamino)benzoic acid Formula: C27H35N3O7 MolecularWeight: 513.5827

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=C(C=CC(=C1C2=CC=C(C=C2)C(=O)OCC(C(=O)OCC)N)N(C)C)C(=O)O

Isomeric SMILES

CCCC(C)C(=O)NC1=C(C=CC(=C1C2=CC=C(C=C2)C(=O)OCC(C(=O)OCC)N)N(C)C)C(=O)O

InChI

InChI=1S/C27H35N3O7/c1-6-8-16(3)24(31)29-23-19(25(32)33)13-14-21(30(4)5)22(23)17-9-11-18(12-10-17)26(34)37-15-20(28)27(35)36-7-2/h9-14,16,20H,6-8,15,28H2,1-5H3,(H,29,31)(H,32,33)