[1-[4-[(2-azanyl-4-butoxy-phenyl)carbonylamino]-3-fluoranyl-phenyl]pyrrolidin-3-yl]methylcarbamic acid

Systemtic Name: [1-[4-[(2-azanyl-4-butoxy-phenyl)carbonylamino]-3-fluoranyl-phenyl]pyrrolidin-3-yl]methylcarbamic acid Openeye Name: [1-[4-[(2-amino-4-butoxy-benzoyl)amino]-3-fluoro-phenyl]pyrrolidin-3-yl]methylcarbamic acid CAS Name: [1-[4-[[(2-amino-4-butoxyphenyl)-oxomethyl]amino]-3-fluorophenyl]-3-pyrrolidinyl]methylcarbamic acid IUPAC Name: [1-[4-[(2-amino-4-butoxybenzoyl)amino]-3-fluorophenyl]pyrrolidin-3-yl]methylcarbamic acid Traditional Name: [1-[4-[(2-amino-4-butoxy-benzoyl)amino]-3-fluoro-phenyl]pyrrolidin-3-yl]methylcarbamic acid Formula: C23H29FN4O4 MolecularWeight: 444.499163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C(=O)NC2=C(C=C(C=C2)N3CCC(C3)CNC(=O)O)F)N

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C(=O)NC2=C(C=C(C=C2)N3CCC(C3)CNC(=O)O)F)N

InChI

InChI=1S/C23H29FN4O4/c1-2-3-10-32-17-5-6-18(20(25)12-17)22(29)27-21-7-4-16(11-19(21)24)28-9-8-15(14-28)13-26-23(30)31/h4-7,11-12,15,26H,2-3,8-10,13-14,25H2,1H3,(H,27,29)(H,30,31)