4-(methylamino)-3-(pentylamino)-5-[phenyl(2-phenylethanoyl)amino]benzoic acid

Systemtic Name: 4-(methylamino)-3-(pentylamino)-5-[phenyl(2-phenylethanoyl)amino]benzoic acid Openeye Name: 4-(methylamino)-3-(pentylamino)-5-(N-(2-phenylacetyl)anilino)benzoic acid CAS Name: 4-(methylamino)-3-(N-(1-oxo-2-phenylethyl)anilino)-5-(pentylamino)benzoic acid IUPAC Name: 4-(methylamino)-3-(pentylamino)-5-(N-(2-phenylacetyl)anilino)benzoic acid Traditional Name: 3-(amylamino)-4-(methylamino)-5-(N-(2-phenylacetyl)anilino)benzoic acid Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C(=CC(=C1)C(=O)O)N(C2=CC=CC=C2)C(=O)CC3=CC=CC=C3)NC

Isomeric SMILES

CCCCCNC1=C(C(=CC(=C1)C(=O)O)N(C2=CC=CC=C2)C(=O)CC3=CC=CC=C3)NC

InChI

InChI=1S/C27H31N3O3/c1-3-4-11-16-29-23-18-21(27(32)33)19-24(26(23)28-2)30(22-14-9-6-10-15-22)25(31)17-20-12-7-5-8-13-20/h5-10,12-15,18-19,28-29H,3-4,11,16-17H2,1-2H3,(H,32,33)