3-[3-(dimethylamino)propoxy]-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoic acid

Systemtic Name: 3-[3-(dimethylamino)propoxy]-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoic acid Openeye Name: 3-[3-(dimethylamino)propoxy]-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoic acid CAS Name: 3-[3-(dimethylamino)propoxy]-4-[[[(5-methyl-2-pyrazinyl)amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[3-(dimethylamino)propoxy]-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoic acid Traditional Name: 3-[3-(dimethylamino)propoxy]-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoic acid Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)NC(=O)NC2=C(C=C(C=C2)C(=O)O)OCCCN(C)C

Isomeric SMILES

CC1=CN=C(C=N1)NC(=O)NC2=C(C=C(C=C2)C(=O)O)OCCCN(C)C

InChI

InChI=1S/C18H23N5O4/c1-12-10-20-16(11-19-12)22-18(26)21-14-6-5-13(17(24)25)9-15(14)27-8-4-7-23(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,24,25)(H2,20,21,22,26)