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

Systemtic Name: 2-(aminocarbonylamino)-4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-3-naphthalen-1-yl-benzoic acid Openeye Name: 4-[6-(morpholinomethyl)-3-pyridyl]-3-(1-naphthyl)-2-ureido-benzoic acid CAS Name: 2-(carbamoylamino)-4-[6-(4-morpholinylmethyl)-3-pyridinyl]-3-(1-naphthalenyl)benzoic acid IUPAC Name: 2-(carbamoylamino)-4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-3-naphthalen-1-ylbenzoic acid Traditional Name: 4-[6-(morpholinomethyl)-3-pyridyl]-3-(1-naphthyl)-2-ureido-benzoic acid Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NC=C(C=C2)C3=C(C(=C(C=C3)C(=O)O)NC(=O)N)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1COCCN1CC2=NC=C(C=C2)C3=C(C(=C(C=C3)C(=O)O)NC(=O)N)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H26N4O4/c29-28(35)31-26-24(27(33)34)11-10-22(25(26)23-7-3-5-18-4-1-2-6-21(18)23)19-8-9-20(30-16-19)17-32-12-14-36-15-13-32/h1-11,16H,12-15,17H2,(H,33,34)(H3,29,31,35)