(2R)-2-[(2,5-ditert-butylphenyl)carbamoylamino]-3-(4-iodophenyl)-N-prop-2-enyl-propanamide

Systemtic Name: (2R)-2-[(2,5-ditert-butylphenyl)carbamoylamino]-3-(4-iodophenyl)-N-prop-2-enyl-propanamide Openeye Name: (2R)-N-allyl-2-[(2,5-ditert-butylphenyl)carbamoylamino]-3-(4-iodophenyl)propanamide CAS Name: (2R)-2-[[(2,5-ditert-butylanilino)-oxomethyl]amino]-3-(4-iodophenyl)-N-prop-2-enylpropanamide IUPAC Name: (2R)-2-[(2,5-ditert-butylphenyl)carbamoylamino]-3-(4-iodophenyl)-N-prop-2-enylpropanamide Traditional Name: (2R)-N-allyl-2-[(2,5-ditert-butylphenyl)carbamoylamino]-3-(4-iodophenyl)propionamide Formula: C27H36IN3O2 MolecularWeight: 561.49811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)NC(=O)NC(CC2=CC=C(C=C2)I)C(=O)NCC=C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)NC(=O)N[C@H](CC2=CC=C(C=C2)I)C(=O)NCC=C

InChI

InChI=1S/C27H36IN3O2/c1-8-15-29-24(32)23(16-18-9-12-20(28)13-10-18)31-25(33)30-22-17-19(26(2,3)4)11-14-21(22)27(5,6)7/h8-14,17,23H,1,15-16H2,2-7H3,(H,29,32)(H2,30,31,33)/t23-/m1/s1