5-[bis(2-methoxyethyl)amino]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 5-[bis(2-methoxyethyl)amino]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 5-[bis(2-methoxyethyl)amino]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 5-[bis(2-methoxyethyl)amino]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 5-[bis(2-methoxyethyl)amino]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 5-[bis(2-methoxyethyl)amino]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=C(C=C1)N(CCOC)CCOC)C(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=C(C=C1)N(CCOC)CCOC)C(=O)O)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H30N2O5/c1-19(21-9-8-20-6-4-5-7-22(20)17-21)16-26(30)28-25-11-10-23(18-24(25)27(31)32)29(12-14-33-2)13-15-34-3/h4-11,16-18H,12-15H2,1-3H3,(H,28,30)(H,31,32)/b19-16-