4-[(cyclopentylamino)methyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[(cyclopentylamino)methyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-[(cyclopentylamino)methyl]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-[(cyclopentylamino)methyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-[(cyclopentylamino)methyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-[(cyclopentylamino)methyl]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)CNC2CCCC2)C(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)CNC2CCCC2)C(=O)O)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H28N2O3/c1-18(21-12-11-20-6-2-3-7-22(20)16-21)14-26(30)29-25-15-19(10-13-24(25)27(31)32)17-28-23-8-4-5-9-23/h2-3,6-7,10-16,23,28H,4-5,8-9,17H2,1H3,(H,29,30)(H,31,32)/b18-14-