3-[[(E)-but-2-enoyl]amino]-2-methyl-2-phenoxy-3-[1-(phenylmethyl)indol-5-yl]butanoic acid

Systemtic Name: 3-[[(E)-but-2-enoyl]amino]-2-methyl-2-phenoxy-3-[1-(phenylmethyl)indol-5-yl]butanoic acid Openeye Name: 3-(1-benzylindol-5-yl)-3-[[(E)-but-2-enoyl]amino]-2-methyl-2-phenoxy-butanoic acid CAS Name: 2-methyl-3-[[(E)-1-oxobut-2-enyl]amino]-2-phenoxy-3-[1-(phenylmethyl)-5-indolyl]butanoic acid IUPAC Name: 3-(1-benzylindol-5-yl)-3-[[(E)-but-2-enoyl]amino]-2-methyl-2-phenoxybutanoic acid Traditional Name: 3-(1-benzylindol-5-yl)-3-[[(E)-but-2-enoyl]amino]-2-methyl-2-phenoxy-butyric acid Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC(C)(C1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3)C(C)(C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

C/C=C/C(=O)NC(C)(C1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3)C(C)(C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C30H30N2O4/c1-4-11-27(33)31-29(2,30(3,28(34)35)36-25-14-9-6-10-15-25)24-16-17-26-23(20-24)18-19-32(26)21-22-12-7-5-8-13-22/h4-20H,21H2,1-3H3,(H,31,33)(H,34,35)/b11-4+