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4-[(1-ethoxy-2-oxidanylidene-2-phenanthren-3-yl-ethyl)amino]benzoic acid

4-[(1-ethoxy-2-oxidanylidene-2-phenanthren-3-yl-ethyl)amino]benzoic acid

Systemtic Name:4-[(1-ethoxy-2-oxidanylidene-2-phenanthren-3-yl-ethyl)amino]benzoic acid
Openeye Name:4-[[1-ethoxy-2-oxo-2-(3-phenanthryl)ethyl]amino]benzoic acid
CAS Name:4-[[1-ethoxy-2-oxo-2-(3-phenanthrenyl)ethyl]amino]benzoic acid
IUPAC Name:4-[(1-ethoxy-2-oxo-2-phenanthren-3-ylethyl)amino]benzoic acid
Traditional Name:4-[[1-ethoxy-2-keto-2-(3-phenanthryl)ethyl]amino]benzoic acid
Formula: C25H21NO4
MolecularWeight: 399.43854
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1)NC4=CC=C(C=C4)C(=O)O


Isomeric SMILES

CCOC(C(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1)NC4=CC=C(C=C4)C(=O)O


InChI

InChI=1S/C25H21NO4/c1-2-30-24(26-20-13-11-18(12-14-20)25(28)29)23(27)19-10-9-17-8-7-16-5-3-4-6-21(16)22(17)15-19/h3-15,24,26H,2H2,1H3,(H,28,29)


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