methyl 3-[5,15-bis(3,5-ditert-butylphenyl)-22,23-dihydroporphyrin-2-yl]prop-2-enoate

Systemtic Name: methyl 3-[5,15-bis(3,5-ditert-butylphenyl)-22,23-dihydroporphyrin-2-yl]prop-2-enoate Openeye Name: methyl 3-[5,15-bis(3,5-ditert-butylphenyl)-22,23-dihydroporphyrin-2-yl]prop-2-enoate CAS Name: 3-[5,15-bis(3,5-ditert-butylphenyl)-22,23-dihydroporphyrin-2-yl]-2-propenoic acid methyl ester IUPAC Name: methyl 3-[5,15-bis(3,5-ditert-butylphenyl)-22,23-dihydroporphyrin-2-yl]prop-2-enoate Traditional Name: 3-[5,15-bis(3,5-ditert-butylphenyl)-22,23-dihydroporphin-2-yl]acrylic acid methyl ester Formula: C52H58N4O2 MolecularWeight: 771.04252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=C(C(=N5)C=C6C=CC2=N6)C=CC(=O)OC)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=C(C(=N5)C=C6C=CC2=N6)C=CC(=O)OC)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C

InChI

InChI=1S/C52H58N4O2/c1-49(2,3)34-22-32(23-35(27-34)50(4,5)6)47-41-18-15-38(53-41)29-39-16-19-43(54-39)48(33-24-36(51(7,8)9)28-37(25-33)52(10,11)12)45-26-31(14-21-46(57)58-13)44(56-45)30-40-17-20-42(47)55-40/h14-30,53-54H,1-13H3