4-[(2-phenylmethoxyethanoylamino)-prop-2-enyl-amino]-2-propyl-benzoic acid

Systemtic Name: 4-[(2-phenylmethoxyethanoylamino)-prop-2-enyl-amino]-2-propyl-benzoic acid Openeye Name: 4-[allyl-[(2-benzyloxyacetyl)amino]amino]-2-propyl-benzoic acid CAS Name: 4-[[(1-oxo-2-phenylmethoxyethyl)amino]-prop-2-enylamino]-2-propylbenzoic acid IUPAC Name: 4-[[(2-phenylmethoxyacetyl)amino]-prop-2-enylamino]-2-propylbenzoic acid Traditional Name: 4-[allyl-[(2-benzoxyacetyl)amino]amino]-2-propyl-benzoic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)N(CC=C)NC(=O)COCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)N(CC=C)NC(=O)COCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H26N2O4/c1-3-8-18-14-19(11-12-20(18)22(26)27)24(13-4-2)23-21(25)16-28-15-17-9-6-5-7-10-17/h4-7,9-12,14H,2-3,8,13,15-16H2,1H3,(H,23,25)(H,26,27)