[4-azanyl-2-(butanoylamino)phenyl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

Systemtic Name: [4-azanyl-2-(butanoylamino)phenyl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate Openeye Name: [4-amino-2-(butanoylamino)phenyl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate CAS Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid [4-amino-2-(1-oxobutylamino)phenyl] ester IUPAC Name: [4-amino-2-(butanoylamino)phenyl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate Traditional Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid (4-amino-2-butyramido-phenyl) ester Formula: C30H40N2O3 MolecularWeight: 476.6502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC(=C1)N)OC(=O)C=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1)N)OC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C

InChI

InChI=1S/C30H40N2O3/c1-7-10-28(33)32-26-20-24(31)15-17-27(26)35-29(34)19-22(3)12-8-11-21(2)14-16-25-23(4)13-9-18-30(25,5)6/h8,11-12,14-17,19-20H,7,9-10,13,18,31H2,1-6H3,(H,32,33)/b12-8+,16-14+,21-11+,22-19+