2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-5-nitro-benzoic acid

Systemtic Name: 2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-5-nitro-benzoic acid Openeye Name: 2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-5-nitro-benzoic acid CAS Name: 2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-5-nitrobenzoic acid IUPAC Name: 2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-5-nitrobenzoic acid Traditional Name: 2-[carbethoxy-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-5-nitro-benzoic acid Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CCCCN1CCC(=CC1)C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)N(CCCCN1CCC(=CC1)C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H29N3O6/c1-2-34-25(31)27(23-11-10-21(28(32)33)18-22(23)24(29)30)15-7-6-14-26-16-12-20(13-17-26)19-8-4-3-5-9-19/h3-5,8-12,18H,2,6-7,13-17H2,1H3,(H,29,30)