N-[(E)-4-[(3-isocyanophenyl)methyl]-5-methoxy-1-phenyl-pent-1-en-3-yl]-4-phenyl-benzamide

Systemtic Name: N-[(E)-4-[(3-isocyanophenyl)methyl]-5-methoxy-1-phenyl-pent-1-en-3-yl]-4-phenyl-benzamide Openeye Name: N-[(E)-1-[1-[(3-isocyanophenyl)methyl]-2-methoxy-ethyl]-3-phenyl-allyl]-4-phenyl-benzamide CAS Name: N-[(E)-4-[(3-isocyanophenyl)methyl]-5-methoxy-1-phenylpent-1-en-3-yl]-4-phenylbenzamide IUPAC Name: N-[(E)-4-[(3-isocyanophenyl)methyl]-5-methoxy-1-phenylpent-1-en-3-yl]-4-phenylbenzamide Traditional Name: N-[(E)-1-[1-(3-isocyanobenzyl)-2-methoxy-ethyl]-3-phenyl-allyl]-4-phenyl-benzamide Formula: C33H30N2O2 MolecularWeight: 486.6035

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CC1=CC(=CC=C1)[N+]#[C-])C(C=CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COCC(CC1=CC(=CC=C1)[N+]#[C-])C(/C=C/C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H30N2O2/c1-34-31-15-9-12-26(23-31)22-30(24-37-2)32(21-16-25-10-5-3-6-11-25)35-33(36)29-19-17-28(18-20-29)27-13-7-4-8-14-27/h3-21,23,30,32H,22,24H2,2H3,(H,35,36)/b21-16+