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

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

Systemtic Name:2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-nitro-benzoic acid
Openeye Name:2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-nitro-benzoic acid
CAS Name:2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-nitrobenzoic acid
IUPAC Name:2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-nitrobenzoic acid
Traditional Name:2-[carbethoxy-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-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(=CC=C3)[N+](=O)[O-])C(=O)O


Isomeric SMILES

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


InChI

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


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