3-[[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[4-[6-(morpholinomethyl)-3-pyridyl]-1-naphthyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[4-[6-(4-morpholinylmethyl)-3-pyridinyl]-1-naphthalenyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[4-[6-(morpholinomethyl)-3-pyridyl]-1-naphthyl]carbamoylamino]benzoic acid Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NC=C(C=C2)C3=CC=C(C4=CC=CC=C43)NC(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1COCCN1CC2=NC=C(C=C2)C3=CC=C(C4=CC=CC=C43)NC(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C28H26N4O4/c33-27(34)19-4-3-5-21(16-19)30-28(35)31-26-11-10-23(24-6-1-2-7-25(24)26)20-8-9-22(29-17-20)18-32-12-14-36-15-13-32/h1-11,16-17H,12-15,18H2,(H,33,34)(H2,30,31,35)